NPASS Compound

Natural Product: NPC611978

Natural Product ID	NPC611978
Common Name ? The InCHIKey will be temporarily assigned as the "Common Name" if no IUPAC name or alternative short name is available.	URWAJWIAIPFPJE-YFMIWBNJSA-N
IUPAC Name	n.a.
Synonyms
Synthetic Gene Cluster	n.a.
ChEMBL Identifier	CHEMBL221886
PubChem CID	n.a.
Chemical Classification	CHEMONTID:0000000 [Organic compounds]

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

Chemical Representations

RDKit 3D 68 70 0 0 0 0 0 0 0 0999 V2000 6.3302 1.1538 0.8288 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0840 -0.1127 0.1783 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0548 0.0272 -0.8443 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8036 0.5016 -0.1710 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2985 1.6475 -0.8009 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6911 -0.5335 -0.2186 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5287 0.1066 0.1574 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8763 -0.4996 1.2141 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4926 -0.9117 0.7224 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8970 -1.9925 1.5267 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4879 0.1990 0.7021 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4147 0.1004 -0.3106 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6953 -0.0234 0.1925 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5126 1.1010 -0.1491 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8802 0.9560 -0.3614 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8351 1.9973 0.1015 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1908 1.6205 -0.2333 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2809 -0.1328 -0.9832 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2468 -1.1111 -1.4043 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3137 -1.3264 -0.2330 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2987 -2.2832 -0.6644 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8558 1.5701 0.6386 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9367 2.5274 0.8062 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1226 1.7967 1.7633 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6656 0.5063 2.3241 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2836 -0.0361 3.2911 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5397 -0.8418 -1.5891 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5699 -1.6314 -2.0229 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9241 -1.2909 -1.5354 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8867 -1.2987 -2.7129 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3666 -2.3279 -0.6840 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0224 1.9690 0.1476 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7563 1.2752 1.7668 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4256 1.2150 0.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7184 -0.7721 0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4069 0.8336 -1.5235 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9499 0.7679 0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3133 1.5782 -1.7795 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9296 -1.4250 0.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3984 -1.4027 1.5851 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3637 -1.2962 -0.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2967 -2.7642 1.2875 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0321 0.1539 1.6872 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6554 -0.0125 1.3075 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5517 2.9666 -0.3386 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7977 2.1131 1.2096 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8282 2.4414 -0.2083 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5315 0.8698 0.3926 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3080 -0.3220 -1.1853 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6681 -2.0663 -1.7388 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6868 -0.6931 -2.2779 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8737 -1.7679 0.5916 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7282 -3.0392 -1.2384 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5705 -1.7919 -1.2447 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4110 1.7808 -0.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5217 3.3930 1.2062 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3231 2.7799 -0.1303 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3811 2.3223 2.6003 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9462 2.4485 1.4269 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6133 0.6764 2.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4038 0.6729 4.0643 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1283 -0.8795 3.7628 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2941 -2.6949 -1.7568 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5227 -1.6311 -3.1527 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8464 -2.2836 -3.2537 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9409 -1.2039 -2.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6702 -0.4990 -3.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9297 -3.1699 -1.0299 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 15 18 2 0 18 19 1 0 19 20 1 0 20 21 1 0 11 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 25 26 1 0 6 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 29 31 1 1 29 3 1 0 25 8 1 0 20 13 1 0 1 32 1 0 1 33 1 0 1 34 1 0 2 35 1 0 3 36 1 6 4 37 1 1 5 38 1 0 6 39 1 1 8 40 1 1 9 41 1 6 10 42 1 0 11 43 1 1 13 44 1 1 16 45 1 0 16 46 1 0 17 47 1 0 17 48 1 0 18 49 1 0 19 50 1 0 19 51 1 0 20 52 1 1 21 53 1 0 21 54 1 0 22 55 1 6 23 56 1 0 23 57 1 0 24 58 1 0 24 59 1 0 25 60 1 1 26 61 1 0 26 62 1 0 28 63 1 0 28 64 1 0 30 65 1 0 30 66 1 0 30 67 1 0 31 68 1 0 M END

Standard InCHIKey	URWAJWIAIPFPJE-YFMIWBNJSA-N
Standard InCHI	InChI=1S/C19H37N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h3,9-18,24-27H,4-7,20-23H2,1-2H3/t9-,10+,11-,12+,13-,14-,15+,16-,17-,18-,19+/m1/s1
SMILES	CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3OC(CN)=CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)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
NPO46069	Micromonospora inyoensis	Species	Micromonosporaceae	Bacteria	n.a.	n.a.	n.a.	Database[COCONUT]
NPO53618	Streptomyces JP95	Genus	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	Database[COCONUT]

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	134
Ki	132
Inhibition	3
MIC	103
Hepatotoxicity (mechanism)	1
Activity	3
Hepatotoxicity (comment)	1
Hepatotoxicity (malignant tumour)	1
Hepatotoxicity (acute)	2
Denaturation rate constant	1
Hepatotoxicity (steatosis)	1
Hepatotoxicity (animal toxicity known)	1
Hepatotoxicity (moderate)	2
Hepatotoxicity (granulomatous hepatitis)	1
Hepatotoxicity (chronic liver disease)	1
Hepatotoxicity (association with vascular disease)	1
Hepatotoxicity (cytolytic)	1
Hepatotoxicity (severe hepatitis)	1
Hepatotoxicity (cirrhosis)	1
Hepatotoxicity (time to onset)	1
Hepatotoxicity (choleostasis)	1
Hepatotoxicity (successful reintroduction)	1
Hepatotoxicity (benign tumour)	1
SODIUM	4
ALP	4
NEUTSG	4
POTASSIUM	4
NEUTLE	4
CHLORIDE	4
PROT	4
CHOL	4
CK	4
BASO	4
EOSLE	4
HCT	4
MCV	4
Tissue Severity Score	168
ALT	4
CO2	4
PHOS	4
LDH	4
PLAT	4
MCH	4
ALB	4
URATE	4
BASOLE	4
LIPASE	4
MCHC	4
BUN	4
RBCNUC	4
RBC	4
GLUC	4
BILI	4
LYMLE	4
EOS	4
AST	4
MONOLE	4
MONO	4
CREAT	4
LYM	4
WBC	4
HGB	4

Activity Type	# Activity
Individual protein	194
Single protein	13
Organism	429
Unchecked	67
Protein complex group	2
Nucleic-acid	1
Non-molecular	9

Molecular-level activity

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT253	Individual protein	HMG-CoA reductase	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
NPT277	Individual protein	Caspase-1	Homo sapiens	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
NPT226	Individual protein	Beta-2 adrenergic 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
NPT303	Individual protein	Vasopressin V1a receptor	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT239	Individual protein	Cholecystokinin A receptor	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT261	Individual protein	Monoamine oxidase A	Homo sapiens	Ki	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
NPT257	Individual protein	Arachidonate 15-lipoxygenase	Oryctolagus cuniculus	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
NPT243	Individual protein	Dopamine D2 receptor	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT31	Individual protein	Cyclooxygenase-2	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
NPT212	Individual protein	Cytochrome P450 2C9	Homo sapiens	Ki	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
NPT245	Individual protein	Dopamine D4 receptor	Homo sapiens	Ki	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
NPT279	Individual protein	Leukocyte elastase	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
NPT301	Individual protein	Vascular endothelial growth factor receptor 1	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
NPT267	Individual protein	Neuropeptide Y receptor type 1	Homo sapiens	Ki	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
NPT145	Individual protein	Mu opioid 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
NPT256	Individual protein	Cysteinyl leukotriene receptor 1	Homo sapiens	Ki	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
NPT235	Individual protein	C-C chemokine receptor type 4	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
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
NPT279	Individual protein	Leukocyte elastase	Homo sapiens	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
NPT14	Individual protein	Tyrosine-protein kinase FYN	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
NPT217	Individual protein	Adenosine A2a receptor	Homo sapiens	Ki	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
NPT226	Individual protein	Beta-2 adrenergic receptor	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
NPT298	Individual protein	Neurokinin 2 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
NPT299	Individual protein	Androgen Receptor	Rattus norvegicus	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
NPT240	Individual protein	Cytochrome P450 2A6	Homo sapiens	Ki	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
NPT225	Individual protein	Beta-1 adrenergic 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
NPT281	Individual protein	MAP kinase ERK1	Homo sapiens	IC50	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
NPT220	Individual protein	Alpha-1b adrenergic receptor	Rattus norvegicus	Ki	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
NPT213	Individual protein	Cytochrome P450 2C19	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
NPT287	Individual protein	Leukocyte common antigen	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
NPT290	Individual protein	Serotonin 2a (5-HT2a) receptor	Homo sapiens	IC50	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
NPT297	Individual protein	Neurokinin 1 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
NPT222	Individual protein	Alpha-2a adrenergic receptor	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
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
NPT276	Individual protein	Angiotensin-converting enzyme	Oryctolagus cuniculus	IC50	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
NPT233	Individual protein	Carbonic anhydrase II	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
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
NPT230	Individual protein	Bradykinin B2 receptor	Homo sapiens	IC50	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
NPT275	Individual protein	Progesterone receptor	Bos taurus	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
NPT219	Individual protein	Alpha-1a adrenergic receptor	Rattus norvegicus	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
NPT256	Individual protein	Cysteinyl leukotriene receptor 1	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
NPT266	Individual protein	Muscarinic acetylcholine receptor M5	Homo sapiens	IC50	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
NPT218	Individual protein	Adenosine A3 receptor	Homo sapiens	Ki	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
NPT223	Individual protein	Alpha-2b adrenergic 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	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
NPT286	Individual protein	Receptor protein-tyrosine kinase erbB-2	Homo sapiens	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
NPT264	Individual protein	Muscarinic acetylcholine receptor M3	Homo sapiens	IC50	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
NPT216	Individual protein	Adenosine A1 receptor	Homo sapiens	IC50	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
NPT243	Individual protein	Dopamine D2 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
NPT260	Individual protein	Melanocortin receptor 5	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
NPT259	Individual protein	Melanocortin receptor 4	Homo sapiens	Ki	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
NPT257	Individual protein	Arachidonate 15-lipoxygenase	Oryctolagus cuniculus	IC50	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
NPT261	Individual protein	Monoamine oxidase A	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
NPT271	Individual protein	Delta opioid receptor	Homo sapiens	IC50	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
NPT228	Individual protein	Norepinephrine transporter	Homo sapiens	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
NPT282	Individual protein	MAP kinase ERK2	Homo sapiens	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
NPT287	Individual protein	Leukocyte common antigen	Homo sapiens	Ki	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
NPT275	Individual protein	Progesterone receptor	Bos taurus	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
NPT244	Individual protein	Dopamine D3 receptor	Homo sapiens	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
NPT294	Individual protein	Serotonin 6 (5-HT6) 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
NPT241	Individual protein	Cytochrome P450 2E1	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
NPT278	Individual protein	Cathepsin G	Homo sapiens	Ki	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
NPT289	Individual protein	Serotonin 1b (5-HT1b) receptor	Rattus norvegicus	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
NPT204	Individual protein	Acetylcholinesterase	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
NPT224	Individual protein	Alpha-2c adrenergic receptor	Homo sapiens	Ki	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
NPT229	Individual protein	Angiotensin II type 2 (AT-2) 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
NPT295	Individual protein	Serotonin transporter	Homo sapiens	IC50	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
NPT293	Individual protein	Serotonin 4 (5-HT4) receptor	Cavia porcellus	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT296	Individual protein	Sigma opioid receptor	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
NPT286	Individual protein	Receptor protein-tyrosine kinase erbB-2	Homo sapiens	IC50	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
NPT224	Individual protein	Alpha-2c adrenergic receptor	Homo sapiens	IC50	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
NPT296	Individual protein	Sigma opioid receptor	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
NPT277	Individual protein	Caspase-1	Homo sapiens	IC50	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
NPT297	Individual protein	Neurokinin 1 receptor	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
NPT230	Individual protein	Bradykinin B2 receptor	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
NPT208	Individual protein	Cytochrome P450 1A2	Homo sapiens	IC50	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
NPT285	Individual protein	Epidermal growth factor receptor erbB1	Homo sapiens	Ki	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT280	Individual protein	Matrix metalloproteinase 9	Homo sapiens	IC50	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
NPT234	Individual protein	C-C chemokine receptor type 2	Homo sapiens	Ki	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
NPT248	Individual protein	Estrogen receptor beta	Homo sapiens	Ki	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
NPT252	Individual protein	Histamine H2 receptor	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
NPT265	Individual protein	Muscarinic acetylcholine receptor M4	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	IC50	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
NPT110	Individual protein	Cytochrome P450 2D6	Homo sapiens	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
NPT260	Individual protein	Melanocortin receptor 5	Homo sapiens	Ki	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	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
NPT110	Individual protein	Cytochrome P450 2D6	Homo sapiens	Ki	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
NPT270	Individual protein	Nitric oxide synthase, inducible	Mus musculus	IC50	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
NPT30	Individual protein	Cyclooxygenase-1	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
NPT241	Individual protein	Cytochrome P450 2E1	Homo sapiens	Ki	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
NPT264	Individual protein	Muscarinic acetylcholine receptor M3	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
NPT235	Individual protein	C-C chemokine receptor type 4	Homo sapiens	Ki	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
NPT246	Individual protein	Dopamine transporter	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
NPT246	Individual protein	Dopamine transporter	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
NPT248	Individual protein	Estrogen receptor beta	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT13	Individual protein	Tyrosine-protein kinase LCK	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
NPT182	Individual protein	Protein kinase C alpha	Homo sapiens	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
NPT283	Individual protein	MAP kinase p38 alpha	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT69	Individual protein	Matrix metalloproteinase-1	Homo sapiens	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
NPT69	Individual protein	Matrix metalloproteinase-1	Homo sapiens	IC50	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
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
NPT68	Individual protein	Aldose reductase	Rattus norvegicus	Ki	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
NPT29454	Single protein	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	Homo sapiens	Inhibition	=	1.058	%	PMID[38318365]
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
NPT30151	Single protein	Melanocortin receptor 3	Homo sapiens	IC50	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	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
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
NPT28550	Single protein	Vasoactive intestinal polypeptide receptor 1	Homo sapiens	IC50	n.a.	n.a.	n.a.	DrugMatrix in vitro pharmacology data
NPT29442	Protein complex group	Glycine receptor	Rattus norvegicus	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
NPT28792	Nucleic-acid	Nucleic Acid	n.a.	MIC	>	100000.0	nM	PMID[9457241]

In vitro activity

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT1033	Organism	Enterobacter cloacae	Enterobacter cloacae	MIC	>	64.0	ug.mL-1	DOI[10.1039/C5MD00429B]
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
NPT1122	Organism	Haemophilus influenzae	Haemophilus influenzae	MIC	=	4.7	ug.mL-1	PMID[26617967]
NPT566	Organism	Salmonella typhimurium	Salmonella enterica subsp. enterica serovar Typhimurium	MIC	=	0.3	ug.mL-1	PMID[413921]
NPT1550	Organism	Bacillus anthracis	Bacillus anthracis	MIC	<=	0.25	ug.mL-1	PMID[26617967]
NPT28438	Unchecked	Unchecked	n.a.	Hepatotoxicity (comment)	n.a.	n.a.	n.a.	PMID[15646539]
NPT2895	Organism	Providencia stuartii	Providencia stuartii	MIC	=	64.0	ug.mL-1	PMID[20805391]
NPT28438	Unchecked	Unchecked	n.a.	Hepatotoxicity (malignant tumour)	=	0.0	n.a.	PMID[15646539]
NPT992	Organism	Entamoeba histolytica	Entamoeba histolytica	Activity	n.a.	n.a.	n.a.	PMID[413921]
NPT172	Organism	Proteus mirabilis	Proteus mirabilis	MIC	=	0.3	ug.mL-1	PMID[413921]
NPT28438	Unchecked	Unchecked	n.a.	Hepatotoxicity (acute)	=	0.0	n.a.	PMID[15646539]
NPT1207	Organism	Acinetobacter	Acinetobacter	MIC	=	0.5	ug.mL-1	PMID[20805391]
NPT28438	Unchecked	Unchecked	n.a.	Hepatotoxicity (steatosis)	=	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]
NPT28438	Unchecked	Unchecked	n.a.	Hepatotoxicity (cytolytic)	=	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 (cirrhosis)	=	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 (successful reintroduction)	n.a.	n.a.	n.a.	PMID[15646539]
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	MIC	=	0.25	ug.mL-1	PMID[20805391]
NPT1228	Organism	Streptococcus pyogenes	Streptococcus pyogenes	MIC	=	7.5	ug.mL-1	PMID[413921]
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	MIC	=	0.3	ug.mL-1	PMID[413921]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Hepatotoxicity (mechanism)	n.a.	n.a.	n.a.	PMID[15646539]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	n.a.	n.a.	n.a.	PMID[413921]
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	MIC	<	0.01	ug.mL-1	PMID[413921]
NPT3163	Organism	Acinetobacter calcoaceticus	Acinetobacter calcoaceticus	MIC	=	32.0	ug.mL-1	PMID[20805391]
NPT2894	Organism	Providencia rettgeri	Providencia rettgeri	MIC	>	25.0	ug.mL-1	PMID[413921]
NPT2894	Organism	Providencia rettgeri	Providencia rettgeri	MIC	=	3.0	ug.mL-1	PMID[413921]
NPT1228	Organism	Streptococcus pyogenes	Streptococcus pyogenes	MIC	=	17.5	ug.mL-1	PMID[413921]
NPT1228	Organism	Streptococcus pyogenes	Streptococcus pyogenes	MIC	=	3.0	ug.mL-1	PMID[413921]
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	MIC	=	4.7	ug.mL-1	PMID[26617967]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Hepatotoxicity (acute)	=	0.0	%	PMID[15646539]
NPT564	Organism	Listeria monocytogenes	Listeria monocytogenes	MIC	=	2.3	ug.mL-1	PMID[26617967]
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	MIC	=	0.25	ug.mL-1	DOI[10.1039/C5MD00429B]
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	MIC	=	7.5	ug.mL-1	PMID[413921]
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)	=	2.0	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)	=	5.7	%	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 (benign tumour)	=	0.0	n.a.	PMID[15646539]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	>	64.0	ug.mL-1	PMID[20805391]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	0.5	ug.mL-1	DOI[10.1039/C5MD00429B]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	8.0	ug.mL-1	PMID[17470660]
NPT1521	Organism	Stenotrophomonas maltophilia	Stenotrophomonas maltophilia	MIC	=	8.0	ug.mL-1	PMID[17088477]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	0.25	ug.mL-1	PMID[20805391]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	32.0	ug.mL-1	PMID[20805391]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	<=	0.25	ug.mL-1	PMID[26617967]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	256.0	ug.mL-1	PMID[17875999]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	0.75	ug.mL-1	PMID[413921]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	7.5	ug.mL-1	PMID[413921]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	0.5	ug.mL-1	PMID[20805391]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	<=	0.06	ug.mL-1	PMID[17875999]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	0.03	ug.mL-1	PMID[413921]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	2.0	ug.mL-1	PMID[19349516]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	1.0	ug.mL-1	PMID[20805391]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	17.5	ug.mL-1	PMID[413921]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	1.2	ug.mL-1	PMID[26617967]
NPT28513	Organism	Mycolicibacterium smegmatis	Mycolicibacterium smegmatis	MIC	<=	0.25	ug.mL-1	PMID[26617967]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	<=	0.25	ug.mL-1	PMID[17470660]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	17.5	ug.mL-1	PMID[413921]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	0.13	ug.mL-1	PMID[17875999]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	0.5	ug.mL-1	DOI[10.1039/C5MD00429B]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	0.25	ug.mL-1	DOI[10.1039/C5MD00429B]
NPT5397	Organism	Providencia	Providencia	MIC	=	3.0	ug.mL-1	PMID[413921]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	Inhibition	=	100.0	%	PMID[12643896]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	>	64.0	ug.mL-1	DOI[10.1039/C5MD00429B]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	1.0	ug.mL-1	DOI[10.1039/C5MD00429B]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	32.0	ug.mL-1	DOI[10.1039/C5MD00429B]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	8.0	ug.mL-1	PMID[20145089]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	4.0	ug.mL-1	PMID[20145089]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	0.125	ug.mL-1	PMID[17088477]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	64.0	ug.mL-1	DOI[10.1039/C5MD00429B]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	32.0	ug.mL-1	PMID[20805391]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	32.0	ug.mL-1	DOI[10.1039/C5MD00429B]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	>	64.0	ug.mL-1	DOI[10.1039/C5MD00429B]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	Denaturation rate constant	=	0.087	min-1	PMID[12643896]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	Inhibition	=	75.0	%	PMID[12643896]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	IC50	=	7.0	nM	PMID[12643896]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	0.3	ug.mL-1	PMID[413921]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	0.25	ug.mL-1	DOI[10.1039/C5MD00429B]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	1.0	ug.mL-1	DOI[10.1039/C5MD00429B]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	0.5	ug.mL-1	PMID[19349516]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	0.5	ug.mL-1	DOI[10.1039/C5MD00429B]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	7.5	ug.mL-1	PMID[413921]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	32.0	ug.mL-1	PMID[19349516]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	1.0	ug.mL-1	PMID[19349516]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	>	256.0	ug.mL-1	PMID[17875999]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	1.0	ug.mL-1	PMID[20805391]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	>	64.0	ug.mL-1	PMID[20805391]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	0.5	ug.mL-1	PMID[20805391]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	64.0	ug.mL-1	PMID[20805391]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	0.25	ug.mL-1	PMID[20145089]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	0.25	ug.mL-1	PMID[20805391]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	0.125	ug.mL-1	PMID[20805391]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	0.5	ug.mL-1	PMID[20805391]
NPT1248	Organism	Serratia marcescens	Serratia marcescens	MIC	=	0.3	ug.mL-1	PMID[413921]
NPT747	Organism	Acinetobacter baumannii	Acinetobacter baumannii	MIC	=	8.0	ug.mL-1	PMID[20805391]
NPT314	Organism	Bacillus cereus	Bacillus cereus	MIC	=	9.4	ug.mL-1	PMID[26617967]
NPT747	Organism	Acinetobacter baumannii	Acinetobacter baumannii	MIC	=	0.5	ug.mL-1	PMID[20805391]
NPT1248	Organism	Serratia marcescens	Serratia marcescens	MIC	=	8.0	ug.mL-1	PMID[20805391]
NPT1019	Organism	Trichomonas vaginalis	Trichomonas vaginalis	Activity	n.a.	n.a.	n.a.	PMID[413921]
NPT747	Organism	Acinetobacter baumannii	Acinetobacter baumannii	MIC	=	0.5	ug.mL-1	DOI[10.1039/C5MD00429B]
NPT747	Organism	Acinetobacter baumannii	Acinetobacter baumannii	MIC	>	64.0	ug.mL-1	DOI[10.1039/C5MD00429B]

In vivo activity

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	SODIUM	=	147.17	mEq.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALP	=	391.67	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTSG	=	1222.67	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	POTASSIUM	=	6.49	mEq.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTLE	=	6.67	%	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHLORIDE	=	102.33	mEq.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PROT	=	60000.0	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHOL	=	663.3	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CK	=	158.0	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	SODIUM	=	144.2	mEq.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BASO	=	0.0	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EOSLE	=	0.0	%	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	POTASSIUM	=	6.57	mEq.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HCT	=	37.07	%	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCV	=	65.13	fL	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Tissue Severity Score	n.a.	n.a.	n.a.	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALT	=	44.0	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CO2	=	24000000.0	nM	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PHOS	=	133.3	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LDH	=	241.33	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PLAT	=	1451670.0	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCH	=	25.73	pg	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHOL	=	636.7	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTSG	=	824.0	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALB	=	42700.0	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	URATE	=	14.7	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BASOLE	=	0.0	%	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALP	=	295.0	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LIPASE	=	10.33	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CK	=	204.33	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LIPASE	=	8.33	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCHC	=	395300.0	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BUN	=	176.7	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RBCNUC	=	0.0	/100WBC	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCHC	=	394300.0	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RBC	=	5470000.0	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HCT	=	35.6	%	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	GLUC	=	1550.0	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	POTASSIUM	=	6.97	mEq.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RBC	=	5310000.0	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PLAT	=	933330.0	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PHOS	=	138.0	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BILI	=	1.7	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYMLE	=	92.67	%	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCH	=	25.57	pg	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BILI	=	2.7	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EOS	=	0.0	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYMLE	=	92.0	%	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALB	=	42000.0	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	AST	=	81.67	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHOL	=	573.3	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONOLE	=	0.33	%	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LDH	=	130.67	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTLE	=	5.0	%	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALT	=	52.33	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	AST	=	101.0	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	GLUC	=	1590.0	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONO	=	68.0	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LDH	=	124.0	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHLORIDE	=	106.0	mEq.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CK	=	204.0	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CREAT	=	1.3	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYM	=	13836.0	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CREAT	=	2.2	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYM	=	14608.0	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCHC	=	397300.0	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WBC	=	14970.0	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PROT	=	55700.0	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	URATE	=	16.3	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYM	=	15195.33	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCH	=	24.23	pg	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTLE	=	7.33	%	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	GLUC	=	1506.7	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CO2	=	22330000.0	nM	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HCT	=	32.23	%	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHLORIDE	=	104.67	mEq.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CREAT	=	1.9	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HCT	=	36.3	%	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCV	=	64.3	fL	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALB	=	43000.0	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCV	=	65.3	fL	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PLAT	=	1387670.0	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PROT	=	59700.0	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHLORIDE	=	103.67	mEq.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PLAT	=	1176000.0	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LDH	=	135.33	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYMLE	=	94.67	%	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BUN	=	156.7	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	SODIUM	=	145.93	mEq.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCHC	=	400700.0	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONOLE	=	0.0	%	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WBC	=	17930.0	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EOS	=	136.0	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHOL	=	606.7	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PHOS	=	126.3	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PROT	=	61700.0	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONO	=	81.0	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	AST	=	83.67	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALP	=	412.0	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	AST	=	71.67	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PHOS	=	117.7	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONO	=	0.0	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONOLE	=	5.0	%	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HGB	=	140700.0	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CK	=	250.33	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	SODIUM	=	147.67	mEq.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	URATE	=	12.7	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WBC	=	15500.0	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALT	=	58.67	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RBC	=	5670000.0	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYMLE	=	89.0	%	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	GLUC	=	1620.0	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BUN	=	146.7	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LIPASE	=	10.0	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONO	=	878.0	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTLE	=	6.0	%	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALT	=	49.67	U.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALB	=	38300.0	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WBC	=	17130.0	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BUN	=	136.7	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HGB	=	146000.0	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EOSLE	=	1.0	%	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BILI	=	2.0	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCV	=	60.53	fL	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYM	=	16493.67	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HGB	=	129300.0	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CO2	=	21330000.0	nM	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	POTASSIUM	=	7.01	mEq.L-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTSG	=	1130.67	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RBC	=	5650000.0	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HGB	=	144300.0	ug.mL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTSG	=	1060.0	cells.uL-1	DrugMatrix
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALP	=	363.67	U.L-1	DrugMatrix

Experimental ADME

Experiment Model	Experiment Tissue	ADME Type	ADME Relation	ADME Value	ADME Unit	Reference
Homo sapiens	n.a.	CL	=	1.0	mL.min-1.kg-1	PMID[19445515]
Homo sapiens	Kidney	CL_renal	=	0.76	mL.min-1.kg-1	PMID[19445515]
Homo sapiens	n.a.	Fu	=	0.15	n.a.	PMID[18426954]
Homo sapiens	n.a.	CL	=	1.0	mL.min-1.kg-1	PMID[18426954]
Homo sapiens	n.a.	Vdss	=	0.19	L.kg-1	PMID[18426954]
Escherichia coli	n.a.	Uptake at C50	=	7.0	n.a.	PMID[3543366]
Homo sapiens	n.a.	T1/2	=	2.4	hr	PMID[18426954]
Homo sapiens	n.a.	MRT	=	3.2	hr	PMID[18426954]

Experimental Toxicity

Quantitative toxicity

Experiment Model	Experiment Organism	Toxicity Type	Toxicity Relation	Toxicity Value	Toxicity Unit	Reference
-	Mus musculus	LD50	=	34.0	mg.kg-1	PMID[413921]

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 NPC611978 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	20843
0.1-0.2	28857
0.2-0.3	141
0.3-0.4	6
0.4-0.5	0
0.5-0.6	3
0.6-0.7	7
0.7-0.8	0
0.8-0.85	0
0.85-0.9	0
0.9-0.95	1
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9	High Similarity	NPC603234
0.6615	Remote Similarity	NPC478575
0.6418	Remote Similarity	NPC611696
0.6364	Remote Similarity	NPC155631
0.6143	Remote Similarity	NPC487424
0.6119	Remote Similarity	NPC38701
0.6119	Remote Similarity	NPC603866
0.6119	Remote Similarity	NPC606016
0.597	Remote Similarity	NPC605029
0.589	Remote Similarity	NPC471628
0.5513	Remote Similarity	NPC599803

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC611978 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.5 or Top200).

range	Tanimoto Coefficient
0-0.1	6519
0.1-0.2	2601
0.2-0.3	13
0.3-0.4	6
0.4-0.5	1
0.5-0.6	3
0.6-0.7	4
0.7-0.8	0
0.8-0.85	1
0.85-0.9	1
0.9-0.95	0
0.95-1	1

Similarity Score	Similarity Level	Drug ID	Developmental Stage
1.0	High Similarity	NPD3731	Phase 3
0.873	High Similarity	NPD4831	Phase 4
0.8088	Intermediate Similarity	NPD4830	Approved
0.6418	Remote Similarity	NPD4282	Phase 2
0.6364	Remote Similarity	NPD4837	Approved
0.6364	Remote Similarity	NPD4838	Approved
0.6111	Remote Similarity	NPD4832	Approved
0.589	Remote Similarity	NPD4836	Phase 4
0.5747	Remote Similarity	NPD6436	Phase 4
0.5513	Remote Similarity	NPD4835	Approved

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