NPASS Compound

Natural Product: NPC611580

Natural Product ID	NPC611580
Common Name ? The InCHIKey will be temporarily assigned as the "Common Name" if no IUPAC name or alternative short name is available.	ZJAOAACCNHFJAH-UHFFFAOYSA-N
IUPAC Name	n.a.
Synonyms
Synthetic Gene Cluster	n.a.
ChEMBL Identifier	CHEMBL666
PubChem CID	n.a.
Chemical Classification	CHEMONTID:0000000 [Organic compounds] [CHEMONTID:0000264] Organic acids and derivatives [CHEMONTID:0000419] Organic phosphonic acids and derivatives [CHEMONTID:0001302] Organic phosphonic acids

The Chemical Classification was calculated by Classyfire, a software for chemical taxonomy calculation. Reference: DOI:10.1186/s13321-016-0174-y.

Chemical Representations

Standard InCHIKey	ZJAOAACCNHFJAH-UHFFFAOYSA-N
Standard InCHI	InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)
SMILES	O=C(O)P(=O)(O)O

Calculated Properties

Physi-Chem Properties

MedChem Properties

ADMET Properties (ADMETlab3.0)

ADMET: Absorption

ADMET: Distribution

ADMET: Metabolism

ADMET: Excretion

ADMET: Toxicity

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Collection Location	Collection Time	Reference
NPO13391	Streptomyces hygroscopicus	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	PMID[14563159]
NPO13391	Streptomyces hygroscopicus	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	PMID[15844961]
NPO13391	Streptomyces hygroscopicus	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	PMID[16378365]
NPO13391	Streptomyces hygroscopicus	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	PMID[16453790]
NPO13391	Streptomyces hygroscopicus	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	PMID[16724461]
NPO13391	Streptomyces hygroscopicus	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	PMID[17632514]
NPO13391	Streptomyces hygroscopicus	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	PMID[19231864]
NPO13391	Streptomyces hygroscopicus	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	PMID[21486005]
NPO13391	Streptomyces hygroscopicus	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	PMID[21504214]
NPO13391	Streptomyces hygroscopicus	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	PMID[24224794]
NPO13391	Streptomyces hygroscopicus	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	PMID[3170341]
NPO13391	Streptomyces hygroscopicus	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	PMID[3819734]
NPO13391	Streptomyces hygroscopicus	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	PMID[5549382]
NPO13391	Streptomyces hygroscopicus	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	Database[COCONUT]
NPO55385	Streptomyces hygroscopicus SF-1293	Genus	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	Database[COCONUT]
NPO13391	Streptomyces hygroscopicus	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	Database[TCMID]
NPO13391	Streptomyces hygroscopicus	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]

Note for Reference:
In addition to directly collecting NP source organism data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated them from below databases:
☉ UNPD: Universal Natural Products Database [PMID: 23638153].
☉ StreptomeDB: a database of streptomycetes natural products [PMID: 33051671].
☉ TM-MC: a database of medicinal materials and chemical compounds in Northeast Asian traditional medicine [PMID: 26156871].
☉ TCM@Taiwan: a Traditional Chinese Medicine database [PMID: 21253603].
☉ TCMID: a Traditional Chinese Medicine database [PMID: 29106634].
☉ TCMSP: The traditional Chinese medicine systems pharmacology database and analysis platform [PMID: 24735618].
☉ HerDing: a herb recommendation system to treat diseases using genes and chemicals [PMID: 26980517].
☉ MetaboLights: a metabolomics database [PMID: 27010336].
☉ FooDB: a database of constituents, chemistry and biology of food species [www.foodb.ca].

NP Quantity Composition/Concentration

Organism ID	Organism Name	Organism Material Preparation	Organism Part	NP Quantity (Standard)	NP Quantity (Minimum)	NP Quantity (Maximum)	Quantity Unit	Reference

Note for Reference:
In addition to directly collecting NP quantitative data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated NP quantitative records for specific NP domains (e.g., NPS from foods or herbs) from domain-specific databases. These databases include:
☉ DUKE: Dr. Duke's Phytochemical and Ethnobotanical Databases.
☉ PHENOL EXPLORER: is the first comprehensive database on polyphenol content in foods [PMID: 24103452], its homepage can be accessed at here.
☉ FooDB: a database of constituents, chemistry and biology of food species [www.foodb.ca].

Biological Activity

Activity Type	# Activity
IC50	202
Ki	136
Kd	2
AC50	31
Activity	22
Kcat/Km	4
Ratio IC50	3
KA	1
Inhibition	6
EC50	73
HepSE_jaundice	2
DILI_Concern	1
MIC	12
Composite Activity - Active	1
Selectivity index	3
SGOT Increase - Activity Score	1
FC	4
Pc	1
Alkaline Phosphatase Increase - Activity Score	1
F_fraction	1
Composite Activity - Score	1
Alkaline Phosphatase Increase - Number of Reports	1
SI	3
GGT Increase - Index Value	1
SGOT Increase - Number of Reports	1
LDH Increase - Number of Reports	1
Hepatotoxicity (acute)	2
Control	4
SGPT Increase - Activity Score	1
Ratio	2
HepSE_Combined Scores	1
Hepatotoxicity (mechanism)	1
HepSE_bilirubinemia	1
Ratio EC50	1
GGT Increase - Activity Score	1
HepSE_cholecystitis	1
HepSE_hepatic failure	1
Other	2
HepSE_liver fatty	1
HepSE_hepatic necrosis	1
HepSE_cholelithiasis	1
MCC	1
Fg	1
SGOT Increase - Index Value	1
SGPT Increase - Index Value	1
GGT Increase - Number of Reports	1
HepSE_cirrhosis	1
Alkaline Phosphatase Increase - Index Value	1
SGPT Increase - Number of Reports	1
HepSE_hepatomegaly	1
HepSE_liver function tests abnormal	1
Composite Activity - Marginal	1
Hepatotoxicity (malignant tumour)	1
Hepatotoxicity (comment)	1
CC50	5
Hepatotoxicity (animal toxicity known)	1
ID50	2
LDH Increase - Index Value	1
Hepatotoxicity (successful reintroduction)	1
Hepatotoxicity (steatosis)	1
Hepatotoxicity (cytolytic)	1
Hepatotoxicity (choleostasis)	1
Hepatotoxicity (cirrhosis)	1
Hepatotoxicity (moderate)	2
Hepatotoxicity (time to onset)	1
Hepatotoxicity	2
HepSE_liver disease	1
Hepatotoxicity (granulomatous hepatitis)	1
TC50	1
LDH Increase - Activity Score	1
Hepatotoxicity (severe hepatitis)	1
Hepatotoxicity (chronic liver disease)	1
Hepatotoxicity (association with vascular disease)	1
Hepatotoxicity (benign tumour)	1
HepSE_hepatitis	1
HepSE_elevated liver function tests	1
EOS	6
LIPASE	6
PLAT	6
LYM	6
CK	6
WBC	6
HCT	6
CHOL	6
LDH	6
LYMLE	6
URATE	6
PROT	6
ALP	6
BASOLE	6
CREAT	6
MONO	6
BASO	6
RBC	6
ALT	6
MTC	2
ALB	6
NEUTSG	6
MCV	6
SODIUM	6
CO2	6
AST	6
HGB	6
MCHC	6
NEUTLE	6
RBCNUC	6
MCH	6
EOSLE	6
CHLORIDE	6
BILI	6
MONOLE	6
PHOS	6
GLUC	6
POTASSIUM	6
BUN	6

Activity Type	# Activity
Individual protein	264
Cell line	23
Single protein	14
Organism	370
Unchecked	90
Protein complex group	2
Phenotype	35
Non-molecular	8
Subcellular	2

Molecular-level activity

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT280	Individual protein	Matrix metalloproteinase 9	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT279	Individual protein	Leukocyte elastase	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT262	Individual protein	Muscarinic acetylcholine receptor M1	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT235	Individual protein	C-C chemokine receptor type 4	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT109	Individual protein	Cytochrome P450 3A4	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT108	Individual protein	Estrogen receptor alpha	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT291	Individual protein	Serotonin 2b (5-HT2b) receptor	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT272	Individual protein	Kappa opioid receptor	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT298	Individual protein	Neurokinin 2 receptor	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT1062	Individual protein	Carbonic anhydrase IV	Homo sapiens	Ki	=	820000.0	nM	PMID[15745821]
NPT31	Individual protein	Cyclooxygenase-2	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT257	Individual protein	Arachidonate 15-lipoxygenase	Oryctolagus cuniculus	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT233	Individual protein	Carbonic anhydrase II	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT248	Individual protein	Estrogen receptor beta	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT218	Individual protein	Adenosine A3 receptor	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT275	Individual protein	Progesterone receptor	Bos taurus	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT297	Individual protein	Neurokinin 1 receptor	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT270	Individual protein	Nitric oxide synthase, inducible	Mus musculus	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT273	Individual protein	Phosphodiesterase 5A	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT272	Individual protein	Kappa opioid receptor	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT145	Individual protein	Mu opioid receptor	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT277	Individual protein	Caspase-1	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT31	Individual protein	Cyclooxygenase-2	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT109	Individual protein	Cytochrome P450 3A4	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT224	Individual protein	Alpha-2c adrenergic receptor	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT220	Individual protein	Alpha-1b adrenergic receptor	Rattus norvegicus	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT267	Individual protein	Neuropeptide Y receptor type 1	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT230	Individual protein	Bradykinin B2 receptor	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT235	Individual protein	C-C chemokine receptor type 4	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT108	Individual protein	Estrogen receptor alpha	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT233	Individual protein	Carbonic anhydrase II	Homo sapiens	Ki	=	14200000.0	nM	PMID[15745821]
NPT241	Individual protein	Cytochrome P450 2E1	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT260	Individual protein	Melanocortin receptor 5	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT266	Individual protein	Muscarinic acetylcholine receptor M5	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT182	Individual protein	Protein kinase C alpha	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT292	Individual protein	Serotonin 2c (5-HT2c) receptor	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT303	Individual protein	Vasopressin V1a receptor	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT295	Individual protein	Serotonin transporter	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT274	Individual protein	Platelet activating factor receptor	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT278	Individual protein	Cathepsin G	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT283	Individual protein	MAP kinase p38 alpha	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT253	Individual protein	HMG-CoA reductase	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT255	Individual protein	Leukotriene C4 synthase	Cavia porcellus	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT263	Individual protein	Muscarinic acetylcholine receptor M2	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT264	Individual protein	Muscarinic acetylcholine receptor M3	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT224	Individual protein	Alpha-2c adrenergic receptor	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT299	Individual protein	Androgen Receptor	Rattus norvegicus	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT283	Individual protein	MAP kinase p38 alpha	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT2769	Individual protein	Thromboxane A2 receptor	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT222	Individual protein	Alpha-2a adrenergic receptor	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT269	Individual protein	Nitric-oxide synthase, brain	Rattus norvegicus	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT279	Individual protein	Leukocyte elastase	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT289	Individual protein	Serotonin 1b (5-HT1b) receptor	Rattus norvegicus	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT292	Individual protein	Serotonin 2c (5-HT2c) receptor	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT287	Individual protein	Leukocyte common antigen	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT297	Individual protein	Neurokinin 1 receptor	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT228	Individual protein	Norepinephrine transporter	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT271	Individual protein	Delta opioid receptor	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT281	Individual protein	MAP kinase ERK1	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT300	Individual protein	Thromboxane-A synthase	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT226	Individual protein	Beta-2 adrenergic receptor	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT263	Individual protein	Muscarinic acetylcholine receptor M2	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT232	Individual protein	Cannabinoid CB1 receptor	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT234	Individual protein	C-C chemokine receptor type 2	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT240	Individual protein	Cytochrome P450 2A6	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT204	Individual protein	Acetylcholinesterase	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT216	Individual protein	Adenosine A1 receptor	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT276	Individual protein	Angiotensin-converting enzyme	Oryctolagus cuniculus	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT288	Individual protein	Serotonin 1a (5-HT1a) receptor	Rattus norvegicus	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT293	Individual protein	Serotonin 4 (5-HT4) receptor	Cavia porcellus	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT239	Individual protein	Cholecystokinin A receptor	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT212	Individual protein	Cytochrome P450 2C9	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT242	Individual protein	Dopamine D1 receptor	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT249	Individual protein	Glucocorticoid receptor	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT222	Individual protein	Alpha-2a adrenergic receptor	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT223	Individual protein	Alpha-2b adrenergic receptor	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT265	Individual protein	Muscarinic acetylcholine receptor M4	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT212	Individual protein	Cytochrome P450 2C9	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT241	Individual protein	Cytochrome P450 2E1	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT153	Individual protein	Androgen Receptor	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT295	Individual protein	Serotonin transporter	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT243	Individual protein	Dopamine D2 receptor	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT243	Individual protein	Dopamine D2 receptor	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT264	Individual protein	Muscarinic acetylcholine receptor M3	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT290	Individual protein	Serotonin 2a (5-HT2a) receptor	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT270	Individual protein	Nitric oxide synthase, inducible	Mus musculus	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT213	Individual protein	Cytochrome P450 2C19	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT242	Individual protein	Dopamine D1 receptor	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT265	Individual protein	Muscarinic acetylcholine receptor M4	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT262	Individual protein	Muscarinic acetylcholine receptor M1	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT219	Individual protein	Alpha-1a adrenergic receptor	Rattus norvegicus	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT247	Individual protein	Endothelin receptor ET-A	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT225	Individual protein	Beta-1 adrenergic receptor	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT252	Individual protein	Histamine H2 receptor	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT217	Individual protein	Adenosine A2a receptor	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT275	Individual protein	Progesterone receptor	Bos taurus	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT276	Individual protein	Angiotensin-converting enzyme	Oryctolagus cuniculus	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT14	Individual protein	Tyrosine-protein kinase FYN	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT284	Individual protein	Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT245	Individual protein	Dopamine D4 receptor	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT247	Individual protein	Endothelin receptor ET-A	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT262	Individual protein	Muscarinic acetylcholine receptor M1	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT251	Individual protein	Histamine H1 receptor	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT273	Individual protein	Phosphodiesterase 5A	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT244	Individual protein	Dopamine D3 receptor	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT256	Individual protein	Cysteinyl leukotriene receptor 1	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT229	Individual protein	Angiotensin II type 2 (AT-2) receptor	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT13	Individual protein	Tyrosine-protein kinase LCK	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT293	Individual protein	Serotonin 4 (5-HT4) receptor	Cavia porcellus	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT301	Individual protein	Vascular endothelial growth factor receptor 1	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT301	Individual protein	Vascular endothelial growth factor receptor 1	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT1143	Individual protein	Carbonic anhydrase VA	Homo sapiens	Ki	=	41700000.0	nM	PMID[15745821]
NPT220	Individual protein	Alpha-1b adrenergic receptor	Rattus norvegicus	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT237	Individual protein	Interleukin-8 receptor A	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT218	Individual protein	Adenosine A3 receptor	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT221	Individual protein	Alpha-1d adrenergic receptor	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT233	Individual protein	Carbonic anhydrase II	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT237	Individual protein	Interleukin-8 receptor A	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT246	Individual protein	Dopamine transporter	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT110	Individual protein	Cytochrome P450 2D6	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT284	Individual protein	Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT216	Individual protein	Adenosine A1 receptor	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT249	Individual protein	Glucocorticoid receptor	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT221	Individual protein	Alpha-1d adrenergic receptor	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT246	Individual protein	Dopamine transporter	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT246	Individual protein	Dopamine transporter	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT285	Individual protein	Epidermal growth factor receptor erbB1	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT227	Individual protein	Beta-3 adrenergic receptor	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT228	Individual protein	Norepinephrine transporter	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT208	Individual protein	Cytochrome P450 1A2	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT2215	Individual protein	DNA polymerase alpha subunit	Homo sapiens	IC50	>	20000.0	nM	PMID[16134946]
NPT234	Individual protein	C-C chemokine receptor type 2	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT213	Individual protein	Cytochrome P450 2C19	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT110	Individual protein	Cytochrome P450 2D6	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT244	Individual protein	Dopamine D3 receptor	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT230	Individual protein	Bradykinin B2 receptor	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT256	Individual protein	Cysteinyl leukotriene receptor 1	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT257	Individual protein	Arachidonate 15-lipoxygenase	Oryctolagus cuniculus	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT267	Individual protein	Neuropeptide Y receptor type 1	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT240	Individual protein	Cytochrome P450 2A6	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT299	Individual protein	Androgen Receptor	Rattus norvegicus	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT282	Individual protein	MAP kinase ERK2	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT294	Individual protein	Serotonin 6 (5-HT6) receptor	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT145	Individual protein	Mu opioid receptor	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT236	Individual protein	C-C chemokine receptor type 5	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT232	Individual protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT255	Individual protein	Leukotriene C4 synthase	Cavia porcellus	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT259	Individual protein	Melanocortin receptor 4	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT261	Individual protein	Monoamine oxidase A	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT30	Individual protein	Cyclooxygenase-1	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT253	Individual protein	HMG-CoA reductase	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT260	Individual protein	Melanocortin receptor 5	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT296	Individual protein	Sigma opioid receptor	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT248	Individual protein	Estrogen receptor beta	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT259	Individual protein	Melanocortin receptor 4	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT236	Individual protein	C-C chemokine receptor type 5	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT208	Individual protein	Cytochrome P450 1A2	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT14	Individual protein	Tyrosine-protein kinase FYN	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT217	Individual protein	Adenosine A2a receptor	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT242	Individual protein	Dopamine D1 receptor	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT13	Individual protein	Tyrosine-protein kinase LCK	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT282	Individual protein	MAP kinase ERK2	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT289	Individual protein	Serotonin 1b (5-HT1b) receptor	Rattus norvegicus	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT287	Individual protein	Leukocyte common antigen	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT182	Individual protein	Protein kinase C alpha	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT277	Individual protein	Caspase-1	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT278	Individual protein	Cathepsin G	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT285	Individual protein	Epidermal growth factor receptor erbB1	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT286	Individual protein	Receptor protein-tyrosine kinase erbB-2	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT271	Individual protein	Delta opioid receptor	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT145	Individual protein	Mu opioid receptor	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT228	Individual protein	Norepinephrine transporter	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT296	Individual protein	Sigma opioid receptor	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT274	Individual protein	Platelet activating factor receptor	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT290	Individual protein	Serotonin 2a (5-HT2a) receptor	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT269	Individual protein	Nitric-oxide synthase, brain	Rattus norvegicus	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT222	Individual protein	Alpha-2a adrenergic receptor	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT30	Individual protein	Cyclooxygenase-1	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT263	Individual protein	Muscarinic acetylcholine receptor M2	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT1410	Individual protein	GABA receptor alpha-1 subunit	Rattus norvegicus	AC50	>	30000.0	nM	PMID[37468498]
NPT1788	Individual protein	Alpha-1a adrenergic receptor	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT261	Individual protein	Monoamine oxidase A	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT218	Individual protein	Adenosine A3 receptor	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT108	Individual protein	Estrogen receptor alpha	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT295	Individual protein	Serotonin transporter	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT204	Individual protein	Acetylcholinesterase	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT239	Individual protein	Cholecystokinin A receptor	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT30	Individual protein	Cyclooxygenase-1	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT245	Individual protein	Dopamine D4 receptor	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT303	Individual protein	Vasopressin V1a receptor	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT225	Individual protein	Beta-1 adrenergic receptor	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT226	Individual protein	Beta-2 adrenergic receptor	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT280	Individual protein	Matrix metalloproteinase 9	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT286	Individual protein	Receptor protein-tyrosine kinase erbB-2	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT294	Individual protein	Serotonin 6 (5-HT6) receptor	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT288	Individual protein	Serotonin 1a (5-HT1a) receptor	Rattus norvegicus	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT291	Individual protein	Serotonin 2b (5-HT2b) receptor	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT291	Individual protein	Serotonin 2b (5-HT2b) receptor	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT244	Individual protein	Dopamine D3 receptor	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT2761	Individual protein	Phosphodiesterase 4A	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT252	Individual protein	Histamine H2 receptor	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT251	Individual protein	Histamine H1 receptor	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT223	Individual protein	Alpha-2b adrenergic receptor	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT298	Individual protein	Neurokinin 2 receptor	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT300	Individual protein	Thromboxane-A synthase	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT281	Individual protein	MAP kinase ERK1	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT229	Individual protein	Angiotensin II type 2 (AT-2) receptor	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT204	Individual protein	Acetylcholinesterase	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT227	Individual protein	Beta-3 adrenergic receptor	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT219	Individual protein	Alpha-1a adrenergic receptor	Rattus norvegicus	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT1478	Individual protein	Vascular endothelial growth factor receptor 2	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT261	Individual protein	Monoamine oxidase A	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT266	Individual protein	Muscarinic acetylcholine receptor M5	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT666	Individual protein	Solute carrier family 22 member 6	Rattus norvegicus	Activity	n.a.	n.a.	n.a.	PMID[10945832]
NPT987	Individual protein	Histamine H3 receptor	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT4233	Individual protein	DNA polymerase catalytic subunit	Human herpesvirus 1 (strain KOS) (HHV-1) (Human herpes simplex virus1)	IC50	n.a.	n.a.	n.a.	PMID[18595689]
NPT68	Individual protein	Aldose reductase	Rattus norvegicus	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT68	Individual protein	Aldose reductase	Rattus norvegicus	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT98	Individual protein	HERG	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT98	Individual protein	HERG	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT29465	Single protein	DNA polymerase	Human herpesvirus 5	Activity	n.a.	n.a.	n.a.	PMID[18707089]
NPT98	Individual protein	HERG	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT69	Individual protein	Matrix metalloproteinase-1	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT29498	Single protein	Interleukin-8 receptor B	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT29498	Single protein	Interleukin-8 receptor B	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT4232	Individual protein	DNA polymerase delta subunit 1	Homo sapiens	IC50	>	20000.0	nM	PMID[16134946]
NPT27873	Single protein	Sodium-dependent phosphate transport protein 2A	Homo sapiens	Inhibition	=	84.0	%	PMID[29795756]
NPT69	Individual protein	Matrix metalloproteinase-1	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT542	Individual protein	Progesterone receptor	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT459	Individual protein	Human immunodeficiency virus type 1 reverse transcriptase	Human immunodeficiency virus 1	Kd	=	13900.0	nM	PMID[17145704]
NPT459	Individual protein	Human immunodeficiency virus type 1 reverse transcriptase	Human immunodeficiency virus 1	IC50	=	800.0	nM	PMID[29478802]
NPT459	Individual protein	Human immunodeficiency virus type 1 reverse transcriptase	Human immunodeficiency virus 1	IC50	=	2500.0	nM	PMID[25144111]
NPT459	Individual protein	Human immunodeficiency virus type 1 reverse transcriptase	Human immunodeficiency virus 1	Kcat/Km	=	0.37	/uM/s	PMID[17145704]
NPT459	Individual protein	Human immunodeficiency virus type 1 reverse transcriptase	Human immunodeficiency virus 1	Kcat/Km	=	0.018	/uM/s	PMID[17145704]
NPT459	Individual protein	Human immunodeficiency virus type 1 reverse transcriptase	Human immunodeficiency virus 1	Kd	=	400.0	nM	PMID[17145704]
NPT459	Individual protein	Human immunodeficiency virus type 1 reverse transcriptase	Human immunodeficiency virus 1	Kcat/Km	=	0.074	/uM/s	PMID[17145704]
NPT459	Individual protein	Human immunodeficiency virus type 1 reverse transcriptase	Human immunodeficiency virus 1	Kcat/Km	=	0.006	/uM/s	PMID[17145704]
NPT459	Individual protein	Human immunodeficiency virus type 1 reverse transcriptase	Human immunodeficiency virus 1	IC50	=	56000.0	nM	PMID[15189038]
NPT459	Individual protein	Human immunodeficiency virus type 1 reverse transcriptase	Human immunodeficiency virus 1	IC50	=	5200.0	nM	PMID[25144111]
NPT459	Individual protein	Human immunodeficiency virus type 1 reverse transcriptase	Human immunodeficiency virus 1	Activity	n.a.	n.a.	n.a.	PMID[17145704]
NPT459	Individual protein	Human immunodeficiency virus type 1 reverse transcriptase	Human immunodeficiency virus 1	IC50	=	2800.0	nM	PMID[25144111]
NPT459	Individual protein	Human immunodeficiency virus type 1 reverse transcriptase	Human immunodeficiency virus 1	Ratio IC50	=	4.5	n.a.	PMID[25144111]
NPT20859	Single protein	Neuropeptide Y receptor type 2	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT20859	Single protein	Neuropeptide Y receptor type 2	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT459	Individual protein	Human immunodeficiency virus type 1 reverse transcriptase	Human immunodeficiency virus 1	IC50	=	24000.0	nM	PMID[15189038]
NPT459	Individual protein	Human immunodeficiency virus type 1 reverse transcriptase	Human immunodeficiency virus 1	Ratio IC50	=	2.4	n.a.	PMID[25144111]
NPT4230	Individual protein	Human herpesvirus 1 DNA polymerase	Herpes simplex virus (type 1 / strain 17)	IC50	n.a.	n.a.	nM	PMID[16134946]
NPT459	Individual protein	Human immunodeficiency virus type 1 reverse transcriptase	Human immunodeficiency virus 1	Inhibition	n.a.	n.a.	%	PMID[29478802]
NPT948	Individual protein	Carbonic anhydrase IX	Homo sapiens	Ki	=	2210000.0	nM	PMID[15745821]
NPT92	Individual protein	Serotonin 1a (5-HT1a) receptor	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT459	Individual protein	Human immunodeficiency virus type 1 reverse transcriptase	Human immunodeficiency virus 1	IC50	>	5000.0	nM	PMID[17172472]
NPT5104	Individual protein	Phosphodiesterase 3A	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT459	Individual protein	Human immunodeficiency virus type 1 reverse transcriptase	Human immunodeficiency virus 1	Activity	=	13.0	%	PMID[12762814]
NPT459	Individual protein	Human immunodeficiency virus type 1 reverse transcriptase	Human immunodeficiency virus 1	IC50	=	800.0	nM	PMID[25144111]
NPT459	Individual protein	Human immunodeficiency virus type 1 reverse transcriptase	Human immunodeficiency virus 1	Ratio IC50	=	0.7	n.a.	PMID[25144111]
NPT28550	Single protein	Vasoactive intestinal polypeptide receptor 1	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT706	Individual protein	Monocarboxylate transporter 1	Rattus norvegicus	Activity	n.a.	n.a.	n.a.	PMID[10579682]
NPT4229	Individual protein	Human herpesvirus 5 DNA polymerase	Human cytomegalovirus (strain AD169) (HHV-5) (Human herpesvirus 5)	IC50	=	2500.0	nM	PMID[16134946]
NPT4231	Individual protein	DNA polymerase	Varicella-zoster virus (strain Dumas) (HHV-3) (Human herpesvirus 3)	IC50	<	280.0	nM	PMID[16134946]
NPT4231	Individual protein	DNA polymerase	Varicella-zoster virus (strain Dumas) (HHV-3) (Human herpesvirus 3)	IC50	n.a.	n.a.	nM	PMID[16134946]
NPT30151	Single protein	Melanocortin receptor 3	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT28550	Single protein	Vasoactive intestinal polypeptide receptor 1	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT28398	Single protein	Insulin receptor	Rattus norvegicus	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT29442	Protein complex group	Glycine receptor	Rattus norvegicus	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT30010	Single protein	Calcitonin receptor	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT28398	Single protein	Insulin receptor	Rattus norvegicus	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT30151	Single protein	Melanocortin receptor 3	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT947	Individual protein	Carbonic anhydrase I	Homo sapiens	KA	=	12.0	uM	PMID[15745821]
NPT29442	Protein complex group	Glycine receptor	Rattus norvegicus	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT4229	Individual protein	Human herpesvirus 5 DNA polymerase	Human cytomegalovirus (strain AD169) (HHV-5) (Human herpesvirus 5)	IC50	=	2500.0	nM	PMID[17434304]
NPT670	Individual protein	Thrombin	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT30010	Single protein	Calcitonin receptor	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data

In vitro activity

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT859	Cell line	HFF	Homo sapiens	IC50	>	100000.0	nM	PMID[9057867]
NPT165	Cell line	HeLa	Homo sapiens	EC50	>	1000000.0	nM	PMID[9258355]
NPT859	Cell line	HFF	Homo sapiens	IC50	>	100000.0	nM	PMID[10882372]
NPT165	Cell line	HeLa	Homo sapiens	EC50	=	133000.0	nM	PMID[9258355]
NPT25	Cell line	MT4	Homo sapiens	EC50	=	133000.0	nM	PMID[15189038]
NPT25	Cell line	MT4	Homo sapiens	EC50	=	140000.0	nM	PMID[15189038]
NPT2192	Cell line	HEL	Homo sapiens	EC50	=	62000.0	nM	PMID[15027877]
NPT2192	Cell line	HEL	Homo sapiens	EC50	=	53000.0	nM	PMID[15027877]
NPT404	Cell line	CCRF-CEM	Homo sapiens	EC50	=	121000.0	nM	PMID[15189038]
NPT404	Cell line	CCRF-CEM	Homo sapiens	EC50	>	10000.0	nM	PMID[15189038]
NPT859	Cell line	HFF	Homo sapiens	IC50	=	100000.0	nM	PMID[9057868]
NPT165	Cell line	HeLa	Homo sapiens	EC50	=	65000.0	nM	PMID[9258355]
NPT25	Cell line	MT4	Homo sapiens	EC50	=	87000.0	nM	PMID[15189038]
NPT2192	Cell line	HEL	Homo sapiens	MCC	>	400000.0	nM	PMID[15027877]
NPT859	Cell line	HFF	Homo sapiens	IC50	=	39000.0	nM	PMID[10882372]
NPT2192	Cell line	HEL	Homo sapiens	CC50	=	500000.0	nM	PMID[15027877]
NPT25	Cell line	MT4	Homo sapiens	CC50	=	230000.0	nM	PMID[15189038]
NPT1452	Cell line	C8166	Homo sapiens	CC50	n.a.	n.a.	n.a.	PMID[17574419]
NPT165	Cell line	HeLa	Homo sapiens	TC50	=	1000.0	uM	PMID[9258355]
NPT28438	Unchecked	Unchecked	n.a.	Inhibition	=	96.46	%	PMID[17574419]
NPT28438	Unchecked	Unchecked	n.a.	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT28438	Unchecked	Unchecked	n.a.	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	2500.0	nM	PMID[20403696]
NPT28438	Unchecked	Unchecked	n.a.	IC50	n.a.	n.a.	n.a.	PMID[18595689]
NPT28438	Unchecked	Unchecked	n.a.	Selectivity index	>	7.5	n.a.	PMID[9258355]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	6540.0	nM	PMID[29459146]
NPT28438	Unchecked	Unchecked	n.a.	IC50	<	280.0	nM	PMID[18595689]
NPT28438	Unchecked	Unchecked	n.a.	IC50	n.a.	n.a.	n.a.	PMID[17513108]
NPT29237	Organism	Human adenovirus 2	Human adenovirus 2	IC50	=	500000.0	nM	PMID[19112024]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	2500.0	nM	PMID[20167488]
NPT28438	Unchecked	Unchecked	n.a.	Ratio	>	6.9	n.a.	PMID[15189038]
NPT28438	Unchecked	Unchecked	n.a.	Hepatotoxicity (acute)	=	0.0	n.a.	PMID[15646539]
NPT28438	Unchecked	Unchecked	n.a.	SI	=	23.4	n.a.	PMID[1992143]
NPT28438	Unchecked	Unchecked	n.a.	IC50	<	280.0	nM	PMID[17513108]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	2500.0	nM	PMID[18595689]
NPT28438	Unchecked	Unchecked	n.a.	IC50	n.a.	n.a.	n.a.	PMID[17434304]
NPT28438	Unchecked	Unchecked	n.a.	IC50	<	280.0	nM	PMID[17434304]
NPT28438	Unchecked	Unchecked	n.a.	Selectivity index	=	6.0	n.a.	PMID[9258355]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	2500.0	nM	PMID[17513108]
NPT20555	Organism	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	IC50	>	20000.0	nM	Screening of ~5500 FDA-approved drugs and clinical candidates for anti-SARS-CoV-2 activity
NPT28438	Unchecked	Unchecked	n.a.	Inhibition	n.a.	n.a.	%	PMID[29459146]
NPT20555	Organism	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	IC50	>	19952.62	nM	Screening of ~5500 FDA-approved drugs and clinical candidates for anti-SARS-CoV-2 activity
NPT28438	Unchecked	Unchecked	n.a.	SI	=	9.1	n.a.	PMID[1992143]
NPT28438	Unchecked	Unchecked	n.a.	Inhibition	=	63.0	%	PMID[2478667]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	1300.0	nM	PMID[17574419]
NPT28438	Unchecked	Unchecked	n.a.	Selectivity Index	>	9.41	n.a.	PMID[21218816]
NPT28438	Unchecked	Unchecked	n.a.	Hepatotoxicity (malignant tumour)	=	0.0	n.a.	PMID[15646539]
NPT28438	Unchecked	Unchecked	n.a.	Hepatotoxicity (comment)	n.a.	n.a.	n.a.	PMID[15646539]
NPT28870	Cell line	HEL 299	Homo sapiens	CC50	>	300.0	ug.mL-1	PMID[11262090]
NPT28438	Unchecked	Unchecked	n.a.	Hepatotoxicity (successful reintroduction)	n.a.	n.a.	n.a.	PMID[15646539]
NPT28438	Unchecked	Unchecked	n.a.	Hepatotoxicity (steatosis)	=	0.0	n.a.	PMID[15646539]
NPT28438	Unchecked	Unchecked	n.a.	Hepatotoxicity (cytolytic)	=	0.0	n.a.	PMID[15646539]
NPT28438	Unchecked	Unchecked	n.a.	Hepatotoxicity (choleostasis)	=	0.0	n.a.	PMID[15646539]
NPT28438	Unchecked	Unchecked	n.a.	Hepatotoxicity (cirrhosis)	=	0.0	n.a.	PMID[15646539]
NPT28438	Unchecked	Unchecked	n.a.	Hepatotoxicity (severe hepatitis)	=	0.0	n.a.	PMID[15646539]
NPT28438	Unchecked	Unchecked	n.a.	Hepatotoxicity (chronic liver disease)	=	0.0	n.a.	PMID[15646539]
NPT28438	Unchecked	Unchecked	n.a.	Hepatotoxicity (association with vascular disease)	=	0.0	n.a.	PMID[15646539]
NPT30073	Organism	Human betaherpesvirus 5	Human betaherpesvirus 5	IC50	=	39000.0	nM	PMID[9575044]
NPT30073	Organism	Human betaherpesvirus 5	Human betaherpesvirus 5	EC50	=	31.0	ug.mL-1	PMID[18707089]
NPT30073	Organism	Human betaherpesvirus 5	Human betaherpesvirus 5	IC50	=	122000.0	nM	PMID[17043128]
NPT30073	Organism	Human betaherpesvirus 5	Human betaherpesvirus 5	EC50	=	35.0	ug.mL-1	PMID[18707089]
NPT30073	Organism	Human betaherpesvirus 5	Human betaherpesvirus 5	EC50	=	41000.0	nM	PMID[17709468]
NPT29394	Organism	Macacine alphaherpesvirus 1	Macacine alphaherpesvirus 1	EC50	=	250000.0	nM	PMID[17438061]
NPT30073	Organism	Human betaherpesvirus 5	Human betaherpesvirus 5	EC50	=	176000.0	nM	PMID[17709468]
NPT30073	Organism	Human betaherpesvirus 5	Human betaherpesvirus 5	IC50	>	100000.0	nM	PMID[8071942]
NPT30073	Organism	Human betaherpesvirus 5	Human betaherpesvirus 5	IC50	=	39000.0	nM	PMID[8071942]
NPT30073	Organism	Human betaherpesvirus 5	Human betaherpesvirus 5	EC50	=	135.0	ug.mL-1	PMID[18707089]
NPT30073	Organism	Human betaherpesvirus 5	Human betaherpesvirus 5	EC50	=	137000.0	nM	PMID[17709468]
NPT30073	Organism	Human betaherpesvirus 5	Human betaherpesvirus 5	IC50	=	41000.0	nM	PMID[17043128]
NPT30073	Organism	Human betaherpesvirus 5	Human betaherpesvirus 5	IC50	=	486300.0	nM	PMID[17043128]
NPT30073	Organism	Human betaherpesvirus 5	Human betaherpesvirus 5	EC50	=	199000.0	nM	PMID[17709468]
NPT30073	Organism	Human betaherpesvirus 5	Human betaherpesvirus 5	EC50	=	29.0	ug.mL-1	PMID[18707089]
NPT30073	Organism	Human betaherpesvirus 5	Human betaherpesvirus 5	EC50	=	37.0	ug.mL-1	PMID[18707089]
NPT30073	Organism	Human betaherpesvirus 5	Human betaherpesvirus 5	FC	=	3.0	n.a.	PMID[17709468]
NPT30073	Organism	Human betaherpesvirus 5	Human betaherpesvirus 5	IC50	=	274000.0	nM	PMID[17043128]
NPT30073	Organism	Human betaherpesvirus 5	Human betaherpesvirus 5	FC	=	6.3	n.a.	PMID[17709468]
NPT30073	Organism	Human betaherpesvirus 5	Human betaherpesvirus 5	IC50	=	7000.0	nM	PMID[19112024]
NPT30073	Organism	Human betaherpesvirus 5	Human betaherpesvirus 5	IC50	=	45000.0	nM	PMID[17043128]
NPT30073	Organism	Human betaherpesvirus 5	Human betaherpesvirus 5	EC50	=	64.9	ug.mL-1	PMID[11262090]
NPT30073	Organism	Human betaherpesvirus 5	Human betaherpesvirus 5	IC50	=	308000.0	nM	PMID[17043128]
NPT30073	Organism	Human betaherpesvirus 5	Human betaherpesvirus 5	EC50	=	204000.0	nM	PMID[17709468]
NPT30073	Organism	Human betaherpesvirus 5	Human betaherpesvirus 5	EC50	=	13000.0	nM	PMID[19226140]
NPT30073	Organism	Human betaherpesvirus 5	Human betaherpesvirus 5	EC50	=	213000.0	nM	PMID[17709468]
NPT30073	Organism	Human betaherpesvirus 5	Human betaherpesvirus 5	IC50	=	431000.0	nM	PMID[17043128]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Hepatotoxicity (acute)	=	0.0	%	PMID[15646539]
NPT30073	Organism	Human betaherpesvirus 5	Human betaherpesvirus 5	EC50	=	63000.0	nM	PMID[19226140]
NPT30073	Organism	Human betaherpesvirus 5	Human betaherpesvirus 5	EC50	=	17.0	ug.mL-1	PMID[18707089]
NPT30073	Organism	Human betaherpesvirus 5	Human betaherpesvirus 5	EC50	=	34.0	ug.mL-1	PMID[18707089]
NPT30073	Organism	Human betaherpesvirus 5	Human betaherpesvirus 5	EC50	=	11000.0	nM	PMID[19226140]
NPT30073	Organism	Human betaherpesvirus 5	Human betaherpesvirus 5	EC50	=	95000.0	nM	PMID[19226140]
NPT30073	Organism	Human betaherpesvirus 5	Human betaherpesvirus 5	IC50	=	39000.0	nM	PMID[9057868]
NPT30073	Organism	Human betaherpesvirus 5	Human betaherpesvirus 5	EC50	=	44000.0	nM	PMID[17709468]
NPT30073	Organism	Human betaherpesvirus 5	Human betaherpesvirus 5	EC50	=	14.0	ug.mL-1	PMID[18707089]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Hepatotoxicity (mechanism)	n.a.	n.a.	n.a.	PMID[15646539]
NPT30073	Organism	Human betaherpesvirus 5	Human betaherpesvirus 5	IC50	=	67500.0	nM	PMID[19010684]
NPT29394	Organism	Macacine alphaherpesvirus 1	Macacine alphaherpesvirus 1	EC50	n.a.	n.a.	n.a.	PMID[17438061]
NPT30073	Organism	Human betaherpesvirus 5	Human betaherpesvirus 5	IC50	=	42000.0	nM	PMID[17043128]
NPT30073	Organism	Human betaherpesvirus 5	Human betaherpesvirus 5	IC50	=	78000.0	nM	PMID[17043128]
NPT30073	Organism	Human betaherpesvirus 5	Human betaherpesvirus 5	IC50	=	732000.0	nM	PMID[17043128]
NPT30073	Organism	Human betaherpesvirus 5	Human betaherpesvirus 5	EC50	=	38.7	ug.mL-1	PMID[11262090]
NPT29394	Organism	Macacine alphaherpesvirus 1	Macacine alphaherpesvirus 1	EC50	>	500000.0	nM	PMID[17438061]
NPT30073	Organism	Human betaherpesvirus 5	Human betaherpesvirus 5	IC50	=	400120.0	nM	PMID[19010684]
NPT30073	Organism	Human betaherpesvirus 5	Human betaherpesvirus 5	EC50	=	20000.0	nM	PMID[19226140]
NPT30073	Organism	Human betaherpesvirus 5	Human betaherpesvirus 5	EC50	=	35000.0	nM	PMID[19226140]
NPT30073	Organism	Human betaherpesvirus 5	Human betaherpesvirus 5	IC50	=	39000.0	nM	PMID[9057867]
NPT30073	Organism	Human betaherpesvirus 5	Human betaherpesvirus 5	IC50	=	32000.0	nM	PMID[17043128]
NPT30073	Organism	Human betaherpesvirus 5	Human betaherpesvirus 5	IC50	=	62800.0	nM	PMID[17043128]
NPT30073	Organism	Human betaherpesvirus 5	Human betaherpesvirus 5	IC50	=	63400.0	nM	PMID[17043128]
NPT30073	Organism	Human betaherpesvirus 5	Human betaherpesvirus 5	IC50	n.a.	n.a.	n.a.	PMID[19010684]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Hepatotoxicity (animal toxicity known)	n.a.	n.a.	n.a.	PMID[15646539]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Hepatotoxicity (moderate)	=	12.0	%	PMID[15646539]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Hepatotoxicity (time to onset)	n.a.	n.a.	n.a.	PMID[15646539]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Hepatotoxicity (granulomatous hepatitis)	=	0.0	n.a.	PMID[15646539]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Hepatotoxicity (moderate)	=	2.0	n.a.	PMID[15646539]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Hepatotoxicity (benign tumour)	=	0.0	n.a.	PMID[15646539]
NPT4352	Organism	Duck hepatitis B virus	Duck hepatitis B virus	IC50	=	106300.0	nM	PMID[21218816]
NPT605	Organism	Homo sapiens	Homo sapiens	DILI_Concern	n.a.	n.a.	n.a.	PMID[26948801]
NPT28897	Organism	Human alphaherpesvirus 1	Human alphaherpesvirus 1	EC50	<	66000.0	nM	PMID[20733037]
NPT28897	Organism	Human alphaherpesvirus 1	Human alphaherpesvirus 1	EC50	=	250000.0	nM	PMID[17438061]
NPT28897	Organism	Human alphaherpesvirus 1	Human alphaherpesvirus 1	MIC	=	238000.0	nM	PMID[2842506]
NPT28897	Organism	Human alphaherpesvirus 1	Human alphaherpesvirus 1	IC50	=	189.0	ug.mL-1	PMID[2838633]
NPT605	Organism	Homo sapiens	Homo sapiens	Pc	=	50000.0	cm s-1	PMID[11384238]
NPT28897	Organism	Human alphaherpesvirus 1	Human alphaherpesvirus 1	IC50	=	1490.0	ug.mL-1	PMID[2838633]
NPT28897	Organism	Human alphaherpesvirus 1	Human alphaherpesvirus 1	IC50	n.a.	n.a.	n.a.	PMID[19010684]
NPT28897	Organism	Human alphaherpesvirus 1	Human alphaherpesvirus 1	IC50	=	64000.0	nM	PMID[19010684]
NPT605	Organism	Homo sapiens	Homo sapiens	F_fraction	=	0.13	n.a.	PMID[20070106]
NPT28897	Organism	Human alphaherpesvirus 1	Human alphaherpesvirus 1	IC50	=	46000.0	nM	PMID[19010684]
NPT605	Organism	Homo sapiens	Homo sapiens	IC50	>	100000.0	nM	PMID[9575044]
NPT24	Organism	Human immunodeficiency virus 1	Human immunodeficiency virus 1	EC50	=	44000.0	nM	PMID[15189038]
NPT28897	Organism	Human alphaherpesvirus 1	Human alphaherpesvirus 1	Control	=	24.0	%	PMID[2822932]
NPT605	Organism	Homo sapiens	Homo sapiens	Ratio	=	0.65	n.a.	PMID[11384238]
NPT28897	Organism	Human alphaherpesvirus 1	Human alphaherpesvirus 1	EC50	=	106000.0	nM	PMID[20733037]
NPT28897	Organism	Human alphaherpesvirus 1	Human alphaherpesvirus 1	Control	=	2.9	%	PMID[2822932]
NPT28897	Organism	Human alphaherpesvirus 1	Human alphaherpesvirus 1	Control	=	37.0	%	PMID[2822932]
NPT28897	Organism	Human alphaherpesvirus 1	Human alphaherpesvirus 1	IC50	=	125000.0	nM	PMID[19010684]
NPT28897	Organism	Human alphaherpesvirus 1	Human alphaherpesvirus 1	Control	=	63.0	%	PMID[2822932]
NPT28897	Organism	Human alphaherpesvirus 1	Human alphaherpesvirus 1	MIC	=	794000.0	nM	PMID[2842506]
NPT28897	Organism	Human alphaherpesvirus 1	Human alphaherpesvirus 1	EC50	=	644000.0	nM	PMID[20733037]
NPT24	Organism	Human immunodeficiency virus 1	Human immunodeficiency virus 1	EC50	>	300000.0	nM	PMID[15189038]
NPT28897	Organism	Human alphaherpesvirus 1	Human alphaherpesvirus 1	MIC	=	79400.0	nM	PMID[2842506]
NPT28897	Organism	Human alphaherpesvirus 1	Human alphaherpesvirus 1	MIC	=	317000.0	nM	PMID[2842506]
NPT605	Organism	Homo sapiens	Homo sapiens	Fg	=	0.78	n.a.	PMID[20070106]
NPT605	Organism	Homo sapiens	Homo sapiens	Activity	=	0.17	%	PMID[20022146]
NPT28897	Organism	Human alphaherpesvirus 1	Human alphaherpesvirus 1	IC50	=	112000.0	nM	PMID[19010684]
NPT28897	Organism	Human alphaherpesvirus 1	Human alphaherpesvirus 1	ID50	=	130.0	uM	PMID[2521518]
NPT30043	Cell line	Vero	Chlorocebus sabaeus	CC50	>	1000.0	nM	PMID[17438061]
NPT30145	Organism	Human alphaherpesvirus 2	Human alphaherpesvirus 2	EC50	=	389000.0	nM	PMID[19770274]
NPT20596	Phenotype	Hepatotoxicity	n.a.	HepSE_jaundice	=	0.0	n.a.	PMID[22194678]
NPT30145	Organism	Human alphaherpesvirus 2	Human alphaherpesvirus 2	EC50	=	89000.0	nM	PMID[20733037]
NPT30145	Organism	Human alphaherpesvirus 2	Human alphaherpesvirus 2	EC50	=	76000.0	nM	PMID[20733037]
NPT30145	Organism	Human alphaherpesvirus 2	Human alphaherpesvirus 2	EC50	<	66000.0	nM	PMID[20733037]
NPT20596	Phenotype	Hepatotoxicity	n.a.	Composite Activity - Active	=	5.0	n.a.	PMID[16472241]
NPT20596	Phenotype	Hepatotoxicity	n.a.	SGOT Increase - Activity Score	n.a.	n.a.	n.a.	PMID[16472241]
NPT30145	Organism	Human alphaherpesvirus 2	Human alphaherpesvirus 2	MIC	=	79400.0	nM	PMID[2842506]
NPT20596	Phenotype	Hepatotoxicity	n.a.	Alkaline Phosphatase Increase - Activity Score	n.a.	n.a.	n.a.	PMID[16472241]
NPT30145	Organism	Human alphaherpesvirus 2	Human alphaherpesvirus 2	MIC	=	238000.0	nM	PMID[2842506]
NPT20596	Phenotype	Hepatotoxicity	n.a.	Composite Activity - Score	n.a.	n.a.	n.a.	PMID[16472241]
NPT20596	Phenotype	Hepatotoxicity	n.a.	Alkaline Phosphatase Increase - Number of Reports	>=	4.0	n.a.	PMID[16472241]
NPT28840	Cell line	ATH-8 cell line	Homo sapiens	SI	>	1.0	n.a.	PMID[2427720]
NPT20596	Phenotype	Hepatotoxicity	n.a.	GGT Increase - Index Value	=	36.3	n.a.	PMID[16472241]
NPT20596	Phenotype	Hepatotoxicity	n.a.	SGOT Increase - Number of Reports	>=	4.0	n.a.	PMID[16472241]
NPT30145	Organism	Human alphaherpesvirus 2	Human alphaherpesvirus 2	EC50	=	145000.0	nM	PMID[20733037]
NPT20596	Phenotype	Hepatotoxicity	n.a.	LDH Increase - Number of Reports	>=	4.0	n.a.	PMID[16472241]
NPT20596	Phenotype	Hepatotoxicity	n.a.	SGPT Increase - Activity Score	n.a.	n.a.	n.a.	PMID[16472241]
NPT20596	Phenotype	Hepatotoxicity	n.a.	HepSE_Combined Scores	=	0.0	n.a.	PMID[22194678]
NPT30145	Organism	Human alphaherpesvirus 2	Human alphaherpesvirus 2	MIC	=	159000.0	nM	PMID[2842506]
NPT20596	Phenotype	Hepatotoxicity	n.a.	HepSE_bilirubinemia	=	0.0	n.a.	PMID[22194678]
NPT30145	Organism	Human alphaherpesvirus 2	Human alphaherpesvirus 2	Ratio EC50	=	0.66	n.a.	PMID[19770274]
NPT20596	Phenotype	Hepatotoxicity	n.a.	GGT Increase - Activity Score	n.a.	n.a.	n.a.	PMID[16472241]
NPT20596	Phenotype	Hepatotoxicity	n.a.	HepSE_cholecystitis	=	0.0	n.a.	PMID[22194678]
NPT20596	Phenotype	Hepatotoxicity	n.a.	HepSE_hepatic failure	=	0.0	n.a.	PMID[22194678]
NPT1889	Subcellular	Liposome	n.a.	Other	=	62.0	n.a.	PMID[10841786]
NPT30145	Organism	Human alphaherpesvirus 2	Human alphaherpesvirus 2	EC50	=	92000.0	nM	PMID[20733037]
NPT20596	Phenotype	Hepatotoxicity	n.a.	HepSE_liver fatty	=	0.0	n.a.	PMID[22194678]
NPT20596	Phenotype	Hepatotoxicity	n.a.	HepSE_hepatic necrosis	=	0.0	n.a.	PMID[22194678]
NPT20596	Phenotype	Hepatotoxicity	n.a.	HepSE_cholelithiasis	=	0.0	n.a.	PMID[22194678]
NPT1889	Subcellular	Liposome	n.a.	Other	=	32.0	n.a.	PMID[10841786]
NPT30145	Organism	Human alphaherpesvirus 2	Human alphaherpesvirus 2	EC50	=	99000.0	nM	PMID[20733037]
NPT28840	Cell line	ATH-8 cell line	Homo sapiens	MIC	=	350000.0	nM	PMID[2427720]
NPT20596	Phenotype	Hepatotoxicity	n.a.	SGOT Increase - Index Value	=	121.1	n.a.	PMID[16472241]
NPT20596	Phenotype	Hepatotoxicity	n.a.	SGPT Increase - Index Value	=	72.6	n.a.	PMID[16472241]
NPT20596	Phenotype	Hepatotoxicity	n.a.	GGT Increase - Number of Reports	<	4.0	n.a.	PMID[16472241]
NPT20596	Phenotype	Hepatotoxicity	n.a.	HepSE_cirrhosis	=	0.0	n.a.	PMID[22194678]
NPT20596	Phenotype	Hepatotoxicity	n.a.	Alkaline Phosphatase Increase - Index Value	=	181.6	n.a.	PMID[16472241]
NPT20596	Phenotype	Hepatotoxicity	n.a.	SGPT Increase - Number of Reports	>=	4.0	n.a.	PMID[16472241]
NPT20596	Phenotype	Hepatotoxicity	n.a.	HepSE_hepatomegaly	=	0.0	n.a.	PMID[22194678]
NPT20596	Phenotype	Hepatotoxicity	n.a.	HepSE_liver function tests abnormal	=	0.0	n.a.	PMID[22194678]
NPT20596	Phenotype	Hepatotoxicity	n.a.	Composite Activity - Marginal	=	0.0	n.a.	PMID[16472241]
NPT30145	Organism	Human alphaherpesvirus 2	Human alphaherpesvirus 2	EC50	=	403000.0	nM	PMID[19770274]
NPT30145	Organism	Human alphaherpesvirus 2	Human alphaherpesvirus 2	EC50	=	670000.0	nM	PMID[19770274]
NPT30145	Organism	Human alphaherpesvirus 2	Human alphaherpesvirus 2	ID50	=	120.0	uM	PMID[2521518]
NPT20596	Phenotype	Hepatotoxicity	n.a.	LDH Increase - Index Value	=	48.4	n.a.	PMID[16472241]
NPT20596	Phenotype	Hepatotoxicity	n.a.	Hepatotoxicity	n.a.	n.a.	n.a.	PMID[20843939]
NPT20596	Phenotype	Hepatotoxicity	n.a.	HepSE_liver disease	=	0.0	n.a.	PMID[22194678]
NPT20596	Phenotype	Hepatotoxicity	n.a.	LDH Increase - Activity Score	n.a.	n.a.	n.a.	PMID[16472241]
NPT20596	Phenotype	Hepatotoxicity	n.a.	Hepatotoxicity	n.a.	n.a.	n.a.	PMID[20553011]

In vivo activity

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT32	Organism	Mus musculus	Mus musculus	EC50	=	1000000.0	nM	PMID[1992143]
NPT32	Organism	Mus musculus	Mus musculus	EC50	=	42800.0	nM	PMID[1992143]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	0.0	n.a.	PMID[15916444]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	12.3	n.a.	PMID[15916444]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	10.4	n.a.	PMID[15916444]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	4.0	n.a.	PMID[15916444]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	18.5	n.a.	PMID[15916444]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	9.2	n.a.	PMID[15916444]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	17.8	n.a.	PMID[15916444]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	7.0	n.a.	PMID[15916444]
NPT32	Organism	Mus musculus	Mus musculus	EC50	=	110000.0	nM	PMID[1992143]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	6.0	n.a.	PMID[15916444]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	1.0	n.a.	PMID[15916444]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	15.2	n.a.	PMID[15916444]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	5.0	n.a.	PMID[15916444]
NPT419	Organism	Oryctolagus cuniculus	Oryctolagus cuniculus	MTC	=	2.619	uM	PMID[2842506]
NPT419	Organism	Oryctolagus cuniculus	Oryctolagus cuniculus	MTC	>	3174.0	uM	PMID[2842506]
NPT20596	Phenotype	Hepatotoxicity	n.a.	HepSE_hepatitis	=	0.0	n.a.	PMID[22194678]
NPT20596	Phenotype	Hepatotoxicity	n.a.	HepSE_elevated liver function tests	=	0.0	n.a.	PMID[22194678]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EOS	=	0.0	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LIPASE	=	8.83	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PLAT	=	1343000.0	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYM	=	12914.0	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CK	=	550.33	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WBC	=	15830.0	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HCT	=	33.47	%	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHOL	=	796.7	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LDH	=	837.0	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYMLE	=	86.0	%	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PLAT	=	1373670.0	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LDH	=	471.33	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	URATE	=	20.0	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYMLE	=	89.5	%	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHOL	=	693.3	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PROT	=	59000.0	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALP	=	297.67	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LDH	=	149.0	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BASOLE	=	0.0	%	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CREAT	=	2.3	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WBC	=	15130.0	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONO	=	353.33	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BASO	=	0.0	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RBC	=	5170000.0	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PROT	=	55700.0	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALT	=	45.0	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALB	=	43700.0	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RBC	=	5590000.0	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTSG	=	1422.33	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCV	=	65.67	fL	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	SODIUM	=	143.67	mEq.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CO2	=	25670000.0	nM	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PLAT	=	1266000.0	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	AST	=	102.0	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LIPASE	=	8.0	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALB	=	41300.0	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HGB	=	126000.0	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCV	=	63.2	fL	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	SODIUM	=	142.23	mEq.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCHC	=	376700.0	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTLE	=	9.67	%	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LIPASE	=	9.0	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RBCNUC	=	0.0	/100WBC	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RBC	=	5470000.0	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LDH	=	795.0	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LIPASE	=	8.33	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCV	=	62.47	fL	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONO	=	325.67	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CK	=	483.67	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCH	=	23.57	pg	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EOSLE	=	0.0	%	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EOS	=	247.67	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALP	=	385.67	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCHC	=	371000.0	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHOL	=	613.3	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WBC	=	14970.0	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCHC	=	384000.0	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALP	=	431.67	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHLORIDE	=	105.0	mEq.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCV	=	63.6	fL	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONO	=	339.33	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTSG	=	1849.0	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	AST	=	88.83	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CO2	=	26000000.0	nM	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BILI	=	2.0	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYM	=	12652.0	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	AST	=	74.67	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PLAT	=	1324670.0	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CREAT	=	1.8	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RBC	=	5360000.0	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HGB	=	136700.0	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONOLE	=	2.33	%	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RBCNUC	=	0.17	/100WBC	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALT	=	51.33	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LIPASE	=	9.33	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	SODIUM	=	144.07	mEq.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCHC	=	369300.0	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCH	=	25.2	pg	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CO2	=	27500000.0	nM	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	URATE	=	15.3	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PHOS	=	123.0	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BILI	=	1.8	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	URATE	=	12.7	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EOSLE	=	1.0	%	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CREAT	=	2.2	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHLORIDE	=	102.67	mEq.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	GLUC	=	1493.3	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	AST	=	95.17	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	POTASSIUM	=	6.35	mEq.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BUN	=	190.0	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WBC	=	14330.0	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALP	=	377.0	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WBC	=	14400.0	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	POTASSIUM	=	6.24	mEq.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHOL	=	673.3	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHOL	=	710.0	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CK	=	209.67	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONO	=	384.67	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EOSLE	=	1.67	%	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BUN	=	166.7	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EOS	=	341.0	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTSG	=	929.0	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BUN	=	185.0	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYM	=	13190.83	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	SODIUM	=	143.57	mEq.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONOLE	=	2.0	%	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BUN	=	156.7	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BILI	=	2.3	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BUN	=	188.3	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTSG	=	1034.67	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HGB	=	130300.0	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	SODIUM	=	144.42	mEq.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCV	=	62.25	fL	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RBC	=	5730000.0	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYMLE	=	88.0	%	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Inhibition	=	-63.0	%	PMID[1479588]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCH	=	24.03	pg	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTSG	=	1104.67	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTLE	=	6.0	%	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	POTASSIUM	=	6.68	mEq.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	AST	=	95.33	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PHOS	=	93.7	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONOLE	=	2.67	%	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTLE	=	8.17	%	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CREAT	=	1.9	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PLAT	=	1307170.0	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHLORIDE	=	102.0	mEq.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LDH	=	103.33	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PHOS	=	108.3	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTLE	=	7.0	%	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EOSLE	=	2.0	%	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYMLE	=	88.17	%	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	GLUC	=	1861.7	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HCT	=	36.85	%	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTLE	=	7.17	%	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PHOS	=	117.7	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYMLE	=	90.33	%	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHLORIDE	=	103.67	mEq.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCHC	=	372300.0	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CK	=	414.67	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HCT	=	33.98	%	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HGB	=	126500.0	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCH	=	23.17	pg	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	GLUC	=	1503.3	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RBC	=	5800000.0	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HCT	=	33.93	%	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	GLUC	=	1700.0	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PROT	=	60500.0	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONO	=	352.67	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCH	=	23.87	pg	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BUN	=	176.7	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	POTASSIUM	=	5.32	mEq.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HCT	=	36.87	%	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WBC	=	15400.0	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LIPASE	=	8.67	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYM	=	13517.17	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCV	=	64.33	fL	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PROT	=	58300.0	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYM	=	13526.0	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CO2	=	28670000.0	nM	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HGB	=	136000.0	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALP	=	383.17	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LDH	=	536.83	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	POTASSIUM	=	6.23	mEq.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CK	=	1049.33	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	SODIUM	=	145.43	mEq.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CO2	=	23670000.0	nM	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RBCNUC	=	0.33	/100WBC	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALT	=	39.67	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTSG	=	1220.5	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALT	=	47.67	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PHOS	=	117.0	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EOS	=	119.0	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTLE	=	11.0	%	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PLAT	=	1244670.0	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALT	=	49.17	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHOL	=	668.3	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYMLE	=	89.67	%	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CO2	=	26670000.0	nM	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HCT	=	35.27	%	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HGB	=	134000.0	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCHC	=	380000.0	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	GLUC	=	1936.7	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCH	=	23.47	pg	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EOS	=	158.83	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALB	=	40800.0	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CK	=	558.33	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALB	=	43000.0	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PROT	=	59300.0	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYM	=	13776.67	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	URATE	=	16.7	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALB	=	42200.0	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALP	=	352.67	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	POTASSIUM	=	6.65	mEq.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	GLUC	=	1453.3	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	AST	=	89.0	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	URATE	=	12.3	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PHOS	=	111.3	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONO	=	307.67	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHLORIDE	=	103.0	mEq.L-1	DrugMatrix

Experimental ADME

Experiment Model	Experiment Tissue	ADME Type	ADME Relation	ADME Value	ADME Unit	Reference
Homo sapiens	n.a.	Absorption	=	17.0	%	PMID[10346926]
Homo sapiens	n.a.	CL	=	2.1	mL.min-1.kg-1	PMID[20070106]
Homo sapiens	n.a.	CL	=	2.1	mL.min-1.kg-1	PMID[19445515]
Homo sapiens	n.a.	Vdss	=	0.5	L.kg-1	PMID[20070106]
Homo sapiens	Kidney	CL_renal	=	1.7	mL.min-1.kg-1	PMID[20070106]
Homo sapiens	Kidney	CL_renal	=	1.68	mL.min-1.kg-1	PMID[19445515]
Homo sapiens	n.a.	Fh	=	0.98	n.a.	PMID[20070106]
Homo sapiens	Liver	CL	=	0.4	mL.min-1.kg-1	PMID[20070106]
Homo sapiens	Plasma	Fu	=	0.85	n.a.	PMID[20070106]
Homo sapiens	n.a.	Fu	=	0.85	n.a.	PMID[18426954]
n.a.	n.a.	LogP	=	-0.56	n.a.	PMID[15189038]
Homo sapiens	n.a.	CL	=	2.1	mL.min-1.kg-1	PMID[18426954]
Homo sapiens	n.a.	MRT	=	4.0	hr	PMID[18426954]
Homo sapiens	n.a.	T1/2	=	4.7	hr	PMID[18426954]
Homo sapiens	n.a.	F	=	17.0	%	US-20160067242-A1
Homo sapiens	Intestine	FA	=	17.0	%	PMID[15658873]
Homo sapiens	n.a.	Papp	=	0.36	cm/s * 10E6	PMID[15658873]
Homo sapiens	n.a.	Papp	=	9.5	cm/s * 10E6	PMID[15658873]
Homo sapiens	n.a.	Papp	=	91.0	cm/s * 10E6	PMID[15658873]
Homo sapiens	n.a.	Papp	=	0.043	cm/s * 10E6	PMID[15658873]
Homo sapiens	Intestine	log10(%HIA +10)	=	1.431	n.a.	PMID[21112128]
Homo sapiens	n.a.	Vdss	=	0.5	L.kg-1	PMID[18426954]
n.a.	n.a.	Papp	=	45000.0	cm s-1	PMID[11384238]

Experimental Toxicity

Quantitative toxicity

Experiment Model	Experiment Organism	Toxicity Type	Toxicity Relation	Toxicity Value	Toxicity Unit	Reference
-	Mus musculus	LD50	=	2.516053108	mg/kg	TOXRIC
-	Homo sapiens	DILI_severity_class	=	3.0	n.a.	PMID[26948801]
-	Human alphaherpesvirus 1	Therapeutic index	=	8.0	n.a.	PMID[2838633]

Common Abbreviations:
LC: Lethal Concentration; LD: Lethal Dose; LT:Lethal Time; NOAEL: No-observed-adverse-effect Level; BMDL: Benchmark Dose Lower Confidence Limit; BMD: Benchmark Dose; BMC:Benchmark Concentration; LOAEL: Lowest Observed Adverse Effect Level; RfD:Reference Dose; RfC:Reference Concentration; MRL: Minimal Risk Level; MEG: Maximum Exposure Guideline; PAC: Protective Action Criteria

Categorical toxicity labels

Hepatotoxicity	Carcinogenicity	Mutagenicity	Cardiotoxicity	Respiratory Toxicity	Eye Irritation	Endocrine Disruption

Note for Reference:
In addition to directly collecting NP quantitative data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated NP toxicity records from domain-specific databases. These databases include:
☉ ToxValDB: a curated database that compiles quantitative toxicity values for chemicals from diverse public sources to support toxicological research and risk assessment.
☉ TOXRIC: a comprehensive, free-to-access, online database providing toxicological/feature data. The toxicity labels are retrieved from this database. [PMID: 36400569]

Chemically structural similarity

Similar Active Natural Products in NPASS

Top-200 similar NPs were calculated against the active-NP-set (includes approximately 50,000 NPs with experimentally-derived bioactivity available in NPASS)

Similarity is measured using the Tanimoto coefficient (Tc) , which compares the binary fingerprints of two molecules. Tc is calculated as the intersection divided by the union of '1' bits in the fingerprints, ranging from 0 to 1, with 1 indicating highest similarity.

● The left chart: Distribution of similarity level between NPC611580 and all remaining natural products in the NPASS database.
● The right table: Most similar natural products (Tc>=0.5 or Top200).

range	Tanimoto Coefficient
0-0.1	43396
0.1-0.2	5598
0.2-0.3	622
0.3-0.4	177
0.4-0.5	54
0.5-0.6	4
0.6-0.7	2
0.7-0.8	0
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.6923	Remote Similarity	NPC230597
0.6154	Remote Similarity	NPC307812
0.5833	Remote Similarity	NPC68873
0.5714	Remote Similarity	NPC286233
0.5625	Remote Similarity	NPC611670
0.5294	Remote Similarity	NPC607828

Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

● The left chart: Distribution of similarity level between NPC611580 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.5 or Top200).

range	Tanimoto Coefficient
0-0.1	6591
0.1-0.2	2203
0.2-0.3	270
0.3-0.4	64
0.4-0.5	15
0.5-0.6	2
0.6-0.7	0
0.7-0.8	0
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	2

Similarity Score	Similarity Level	Drug ID	Developmental Stage
1.0	High Similarity	NPD9752	Clinical (unspecified phase)
1.0	High Similarity	NPD9754	Phase 4
0.5833	Remote Similarity	NPD7364	Phase 4
0.5714	Remote Similarity	NPD8189	Phase 2

Bioactivity similarity

Similar Natural Products in NPASS

Similarity level is defined by Bioactivity similarity was calculated based on bioactivity descriptors of compounds. The bioactivity descriptors were calculated by a recently developed AI algorithm Chemical Checker (CC) [Nature Biotechnology, 38:1087–1096, 2020; Nature Communications, 12:3932, 2021], which evaluated bioactivity similarities at five levels:
☉ A: chemistry similarity;
☉ B: biological targets similarity;
☉ C: networks similarity;
☉ D: cell-based bioactivity similarity;
☉ E: similarity based on clinical data.
Those 5 categories of CC bioactivity descriptors were calculated and then subjected to manifold projection using UMAP algorithm, to project all NPs on a 2-Dimensional space. The current NP was highlighted with a small circle in the 2-D map. Below figures: left-to-right, A-to-E.

A: chemistry similarity

B: biological targets similarity

C: networks similarity

D: cell-based bioactivity similarity

E: similarity based on clinical data