NPASS Compound

Structure

CID187022 OpenBabel06191715562D 35 39 0 0 1 0 0 0 0 0999 V2000 4.3301 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6603 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -3.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9282 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0622 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 -2.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7321 -2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7942 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -3.0000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.6603 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 4 34 1 0 0 0 0 5 35 1 0 0 0 0 7 9 1 0 0 0 0 7 19 1 0 0 0 0 8 10 1 0 0 0 0 8 20 1 0 0 0 0 9 30 1 0 0 0 0 10 31 1 0 0 0 0 12 21 1 0 0 0 0 12 25 1 0 0 0 0 13 19 2 0 0 0 0 13 26 1 0 0 0 0 14 20 2 0 0 0 0 14 27 1 0 0 0 0 15 22 2 0 0 0 0 15 28 1 0 0 0 0 16 23 2 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 18 6 1 1 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 20 23 1 0 0 0 0 21 11 1 6 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 24 11 1 6 0 0 0 24 30 1 0 0 0 0 25 31 1 6 0 0 0 26 28 2 0 0 0 0 26 32 1 0 0 0 0 27 29 2 0 0 0 0 27 33 1 0 0 0 0 28 34 1 0 0 0 0 29 35 1 0 0 0 0 M END $$$$

Physi-Chem Properties

Molecular Weight:	480.3
Volume:	508.693
LogP:	4.372
LogD:	4.023
LogS:	-3.11
# Rotatable Bonds:	7
TPSA:	52.19
# H-Bond Aceptor:	6
# H-Bond Donor:	1
# Rings:	5
# Heavy Atoms:	6

MedChem Properties

QED Drug-Likeness Score:	0.606
Synthetic Accessibility Score:	3.907
Fsp3:	0.586
Lipinski Rule-of-5:	Accepted
Pfizer Rule:	Rejected
GSK Rule:	Rejected
BMS Rule:	0
Golden Triangle Rule:	Accepted
Chelating Alert:	0
PAINS Alert:	0

ADMET Properties (ADMETlab2.0)

ADMET: Absorption

Caco-2 Permeability:	-5.374
MDCK Permeability:	2.001459324674215e-05
Pgp-inhibitor:	0.183
Pgp-substrate:	0.999
Human Intestinal Absorption (HIA):	0.003
20% Bioavailability (F20%):	0.849
30% Bioavailability (F30%):	0.874

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):	0.158
Plasma Protein Binding (PPB):	69.01986694335938%
Volume Distribution (VD):	1.986
Pgp-substrate:	14.878240585327148%

ADMET: Metabolism

CYP1A2-inhibitor:	0.035
CYP1A2-substrate:	0.917
CYP2C19-inhibitor:	0.08
CYP2C19-substrate:	0.956
CYP2C9-inhibitor:	0.009
CYP2C9-substrate:	0.411
CYP2D6-inhibitor:	0.368
CYP2D6-substrate:	0.951
CYP3A4-inhibitor:	0.269
CYP3A4-substrate:	0.938

ADMET: Excretion

Clearance (CL):	6.155
Half-life (T1/2):	0.506

ADMET: Toxicity

hERG Blockers:	0.931
Human Hepatotoxicity (H-HT):	0.167
Drug-inuced Liver Injury (DILI):	0.929
AMES Toxicity:	0.044
Rat Oral Acute Toxicity:	0.513
Maximum Recommended Daily Dose:	0.992
Skin Sensitization:	0.508
Carcinogencity:	0.021
Eye Corrosion:	0.003
Eye Irritation:	0.008
Respiratory Toxicity:	0.662

Download Data

Data Type	Select
General Info & Identifiers & Properties
Structure MOL file
Source Organisms
Biological Activities
Similar NPs/Drugs

Natural Product: NPC187022

Natural Product ID:	NPC187022
*Common Name:**	Emetine
IUPAC Name:	(2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
Synonyms:	Emetine; GNF-Pf-196; TCMDC-125531
Standard InCHIKey:	AUVVAXYIELKVAI-CKBKHPSWSA-N
Standard InCHI:	InChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3/t18-,21-,24+,25-/m0/s1
SMILES:	CC[C@H]1CN2CCc3cc(c(cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(c(cc2CCN1)OC)OC)OC)OC
Synthetic Gene Cluster:	n.a.
ChEMBL Identifier:	CHEMBL50588
PubChem CID:	10219
Chemical Classification:**	CHEMONTID:0000000 [Organic compounds] [CHEMONTID:0000279] Alkaloids and derivatives [CHEMONTID:0002659] Emetine alkaloids

*Note: the InCHIKey will be temporarily assigned as the "Common Name" if no IUPAC name or alternative short name is available.
**Note: the Chemical Classification was calculated by NPClassifier Version 1.5. Reference: PMID:34662515.

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Collection Location	Collection Time	Reference
NPO11195	Neurolaena oaxacana	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[10479310]
NPO18851	Psychotria klugii	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[12880315]
NPO18851	Psychotria klugii	Species	Rubiaceae	Eukaryota	n.a.	whole plant	n.a.	PMID[12880315]
NPO40008	Ageratina cylindrica	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[24502360]
NPO40008	Ageratina cylindrica	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[26517282]
NPO40333	Salvia clinopodioides	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[31063376]
NPO2719	Amauroascus aureus	Species	Onygenaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[5735362]
NPO24848	Acodontaster conspicuus	Species	Odontasteridae	Eukaryota	n.a.	Antarctic	n.a.	PMID[9358635]
NPO24728	Tragopogon porrifolius	Species	Asteraceae	Eukaryota	Root	n.a.	n.a.	Database[FooDB]
NPO24728	Tragopogon porrifolius	Species	Asteraceae	Eukaryota	Seed	n.a.	n.a.	Database[FooDB]
NPO24728	Tragopogon porrifolius	Species	Asteraceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO11192	Hedera helix	Species	Araliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO2690	Carapichea ipecacuanha	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO11192	Hedera helix	Species	Araliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO23138	Swainsona salsula	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO24728	Tragopogon porrifolius	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO11192	Hedera helix	Species	Araliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO2690	Carapichea ipecacuanha	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO2719	Amauroascus aureus	Species	Onygenaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24848	Acodontaster conspicuus	Species	Odontasteridae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26128	Clonostachys rosea	Species	Bionectriaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22548	Osteospermum jucundum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21010	Streptomyces avidinii	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO26637.1	Mentha aquatica var. citrata	Varieties	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25360	Helminthosporium ravenelii	Species	Massarinaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25098	Spinacia glabra	Species	Chenopodiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25409	Ascochyta caulina	Species	Didymellaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2690	Carapichea ipecacuanha	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24521	Helichrysum revolutum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11195	Neurolaena oaxacana	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24211	Parmelia cetrarioides	Species	Parmeliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24880	Bacterial str	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO23138	Swainsona salsula	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24728	Tragopogon porrifolius	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24646	Coryphantha elephantidens	Species	Cactaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18851	Psychotria klugii	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23623	Hirsutella nivea	Species	Ophiocordycipitaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11192	Hedera helix	Species	Araliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5056	Helichrysum heterolasium	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18432	Poria corticola	Species	Coccinellidae	Eukaryota	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	NP ID	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
AC50	3
EC50	6
ED50	1
GI50	1
IC50	123
Ki	5
MIC	3
Others	359
Potency	70

Activity Type	# Activity
Cell Line	84
Individual Protein	57
NON-MOLECULAR	3
Organism	326
Others	91
PROTEIN FAMILY	10
SINGLE PROTEIN	5

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT1161	Cell Line	CHO	Cricetulus griseus	Log CR	=	1.46	n.a.	PMID[559868]
NPT2844	Cell Line	MES-SA	Homo sapiens	Activity	=	0.88	n.a.	PMID[559870]
NPT81	Cell Line	A549	Homo sapiens	IC50	=	40.0	nM	PMID[559871]
NPT91	Cell Line	KB	Homo sapiens	IC50	=	40.0	nM	PMID[559871]
NPT90	Cell Line	DU-145	Homo sapiens	IC50	=	60.0	nM	PMID[559871]
NPT133	Cell Line	ZR-75-1	Homo sapiens	IC50	=	100.0	nM	PMID[559871]
NPT91	Cell Line	KB	Homo sapiens	IC50	=	56.0	nM	PMID[559872]
NPT139	Cell Line	HT-29	Homo sapiens	IC50	=	33.0	nM	PMID[559874]
NPT139	Cell Line	HT-29	Homo sapiens	IZ	=	35.0	mm	PMID[559874]
NPT139	Cell Line	HT-29	Homo sapiens	IZ	=	25.0	mm	PMID[559874]
NPT168	Cell Line	P388	Mus musculus	IC50	=	7.0	nM	PMID[559874]
NPT168	Cell Line	P388	Mus musculus	IZ	>	40.0	mm	PMID[559874]
NPT168	Cell Line	P388	Mus musculus	IZ	=	40.0	mm	PMID[559874]
NPT168	Cell Line	P388	Mus musculus	IZ	=	20.0	mm	PMID[559874]
NPT91	Cell Line	KB	Homo sapiens	ED50	<	1.0	ug ml-1	PMID[559875]
NPT189	Cell Line	Vero	Chlorocebus aethiops	IC50	=	0.42	ug.mL-1	PMID[559876]
NPT2536	Individual Protein	Leukocyte adhesion glycoprotein LFA-1 alpha	Homo sapiens	MIC	=	0.26	ug.mL-1	PMID[559876]
NPT116	Cell Line	HL-60	Homo sapiens	IC50	=	0.38	ug.mL-1	PMID[559876]
NPT2536	Individual Protein	Leukocyte adhesion glycoprotein LFA-1 alpha	Homo sapiens	IC50	>	50.0	ug.mL-1	PMID[559876]
NPT396	Cell Line	T47D	Homo sapiens	Activity	=	58.8	pg/ml	PMID[559878]
NPT1161	Cell Line	CHO	Cricetulus griseus	IC50	=	108.0	nM	PMID[559880]
NPT1161	Cell Line	CHO	Cricetulus griseus	IC50	=	120.0	nM	PMID[559881]
NPT65	Cell Line	HepG2	Homo sapiens	Inhibition	=	43.0	%	PMID[559882]
NPT1229	Cell Line	Huh-7	Homo sapiens	CC50	=	116.3	nM	PMID[559883]
NPT5051	Individual Protein	Putative hydrolase RBBP9	Homo sapiens	IC50	=	7800.0	nM	PMID[559884]
NPT5051	Individual Protein	Putative hydrolase RBBP9	Homo sapiens	Inhibition	=	62.0	%	PMID[559884]
NPT5051	Individual Protein	Putative hydrolase RBBP9	Homo sapiens	Inhibition	=	51.0	%	PMID[559884]
NPT1161	Cell Line	CHO	Cricetulus griseus	IC50	=	0.19	nM	PMID[559887]
NPT537	Individual Protein	Ras-related protein Rab-9A	Homo sapiens	Potency	=	18356.4	nM	PMID[559888]
NPT538	Individual Protein	Niemann-Pick C1 protein	Homo sapiens	Potency	=	58047.9	nM	PMID[559888]
NPT1161	Cell Line	CHO	Cricetulus griseus	IC50	=	127.0	nM	PMID[559890]
NPT1161	Cell Line	CHO	Cricetulus griseus	IC50	=	190.0	nM	PMID[559891]
NPT64	Individual Protein	ATPase family AAA domain-containing protein 5	Homo sapiens	Potency	n.a.	1299.0	nM	PMID[559888]
NPT152	Individual Protein	Nuclear factor erythroid 2-related factor 2	Homo sapiens	Potency	n.a.	1299.5	nM	PMID[559888]
NPT5	Individual Protein	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Homo sapiens	Potency	n.a.	670.2	nM	PMID[559888]
NPT64	Individual Protein	ATPase family AAA domain-containing protein 5	Homo sapiens	Potency	n.a.	259.2	nM	PMID[559888]
NPT1161	Cell Line	CHO	Cricetulus griseus	IC50	=	80.0	nM	PMID[559895]
NPT478	Individual Protein	Ataxin-2	Homo sapiens	Potency	n.a.	281.8	nM	PMID[559888]
NPT71	Cell Line	HEK293	Homo sapiens	Potency	n.a.	183.5	nM	PMID[559888]
NPT519	Cell Line	SH-SY5Y	Homo sapiens	Potency	n.a.	251.2	nM	PMID[559888]
NPT219	Individual Protein	Alpha-1a adrenergic receptor	Rattus norvegicus	IC50	=	6527.0	nM	PMID[559899]
NPT219	Individual Protein	Alpha-1a adrenergic receptor	Rattus norvegicus	Ki	=	2642.0	nM	PMID[559899]
NPT220	Individual Protein	Alpha-1b adrenergic receptor	Rattus norvegicus	IC50	=	1934.0	nM	PMID[559899]
NPT220	Individual Protein	Alpha-1b adrenergic receptor	Rattus norvegicus	Ki	=	1071.0	nM	PMID[559899]
NPT222	Individual Protein	Alpha-2a adrenergic receptor	Homo sapiens	IC50	=	38.0	nM	PMID[559899]
NPT222	Individual Protein	Alpha-2a adrenergic receptor	Homo sapiens	Ki	=	14.0	nM	PMID[559899]
NPT224	Individual Protein	Alpha-2c adrenergic receptor	Homo sapiens	IC50	=	182.0	nM	PMID[559899]
NPT224	Individual Protein	Alpha-2c adrenergic receptor	Homo sapiens	Ki	=	26.0	nM	PMID[559899]
NPT1161	Cell Line	CHO	Cricetulus griseus	IC50	=	140.0	nM	PMID[559900]
NPT1161	Cell Line	CHO	Cricetulus griseus	IC50	=	19.77	nM	PMID[559901]
NPT1161	Cell Line	CHO	Cricetulus griseus	IC50	=	300.0	nM	PMID[559902]
NPT478	Individual Protein	Ataxin-2	Homo sapiens	Potency	n.a.	251.2	nM	PMID[559888]
NPT1161	Cell Line	CHO	Cricetulus griseus	IC50	=	124830.0	nM	PMID[559908]
NPT1161	Cell Line	CHO	Cricetulus griseus	IC50	=	170.0	nM	PMID[559909]
NPT1161	Cell Line	CHO	Cricetulus griseus	IC50	=	330.0	nM	PMID[559910]
NPT50	Individual Protein	Tyrosyl-DNA phosphodiesterase 1	Homo sapiens	Potency	n.a.	149.6	nM	PMID[559911]
NPT50	Individual Protein	Tyrosyl-DNA phosphodiesterase 1	Homo sapiens	Potency	n.a.	188.4	nM	PMID[559911]
NPT1161	Cell Line	CHO	Cricetulus griseus	IC50	=	129.0	nM	PMID[559912]
NPT1161	Cell Line	CHO	Cricetulus griseus	IC50	=	41.0	nM	PMID[559913]
NPT1161	Cell Line	CHO	Cricetulus griseus	IC50	=	129.0	nM	PMID[559914]
NPT1161	Cell Line	CHO	Cricetulus griseus	IC50	=	92.0	nM	PMID[559916]
NPT1161	Cell Line	CHO	Cricetulus griseus	IC50	=	100.0	nM	PMID[559917]
NPT1161	Cell Line	CHO	Cricetulus griseus	IC50	=	50.0	nM	PMID[559918]
NPT49	Individual Protein	DNA-(apurinic or apyrimidinic site) lyase	Homo sapiens	Potency	n.a.	44668.4	nM	PMID[559911]
NPT1161	Cell Line	CHO	Cricetulus griseus	IC50	=	400.0	nM	PMID[559919]
NPT1161	Cell Line	CHO	Cricetulus griseus	IC50	=	61.0	nM	PMID[559920]
NPT1161	Cell Line	CHO	Cricetulus griseus	IC50	=	125.0	nM	PMID[559922]
NPT1161	Cell Line	CHO	Cricetulus griseus	IC50	=	30.0	nM	PMID[559926]
NPT858	Cell Line	LNCaP	Homo sapiens	IC50	=	37.0	nM	PMID[559927]
NPT306	Cell Line	PC-3	Homo sapiens	IC50	=	35.0	nM	PMID[559927]
NPT90	Cell Line	DU-145	Homo sapiens	IC50	=	33.0	nM	PMID[559927]
NPT858	Cell Line	LNCaP	Homo sapiens	IC50	=	27.0	nM	PMID[559927]
NPT306	Cell Line	PC-3	Homo sapiens	IC50	=	27.0	nM	PMID[559927]
NPT90	Cell Line	DU-145	Homo sapiens	IC50	=	25.0	nM	PMID[559927]
NPT306	Cell Line	PC-3	Homo sapiens	IC50	=	29.0	nM	PMID[559927]
NPT90	Cell Line	DU-145	Homo sapiens	IC50	=	24.0	nM	PMID[559927]
NPT1161	Cell Line	CHO	Cricetulus griseus	IC50	=	104.0	nM	PMID[559928]
NPT1161	Cell Line	CHO	Cricetulus griseus	IC50	=	61.0	nM	PMID[559931]
NPT1161	Cell Line	CHO	Cricetulus griseus	IC50	=	400.0	nM	PMID[559932]
NPT165	Cell Line	HeLa	Homo sapiens	IC50	=	370.0	nM	PMID[559933]
NPT1161	Cell Line	CHO	Cricetulus griseus	IC50	=	95.0	nM	PMID[559937]
NPT1161	Cell Line	CHO	Cricetulus griseus	IC50	=	95.0	nM	PMID[559939]
NPT612	Individual Protein	Canalicular multispecific organic anion transporter 1	Homo sapiens	IC50	>	133000.0	nM	PMID[559940]
NPT1249	Individual Protein	Canalicular multispecific organic anion transporter 2	Homo sapiens	IC50	>	133000.0	nM	PMID[559940]
NPT1028	Individual Protein	Multidrug resistance-associated protein 4	Homo sapiens	IC50	>	133000.0	nM	PMID[559940]
NPT1161	Cell Line	CHO	Cricetulus griseus	IC50	=	178.0	nM	PMID[559941]
NPT189	Cell Line	Vero	Chlorocebus aethiops	IC50	=	176.0	nM	PMID[559942]
NPT306	Cell Line	PC-3	Homo sapiens	IC50	=	29.43	nM	PMID[559943]
NPT858	Cell Line	LNCaP	Homo sapiens	IC50	=	31.6	nM	PMID[559943]
NPT1629	Cell Line	CWR22R	Homo sapiens	IC50	=	30.8	nM	PMID[559943]
NPT71	Cell Line	HEK293	Homo sapiens	CC50	=	71.0	nM	PMID[559944]
NPT1161	Cell Line	CHO	Cricetulus griseus	IC50	=	130.0	nM	PMID[559945]
NPT1161	Cell Line	CHO	Cricetulus griseus	IC50	=	50.0	nM	PMID[559946]
NPT1161	Cell Line	CHO	Cricetulus griseus	IC50	=	120.0	nM	PMID[559948]
NPT1161	Cell Line	CHO	Cricetulus griseus	IC50	=	33.0	nM	PMID[559950]
NPT71	Cell Line	HEK293	Homo sapiens	CC50	=	180.0	nM	PMID[559951]
NPT383	Cell Line	SNB-19	Homo sapiens	CC50	=	86.0	nM	PMID[559951]
NPT1161	Cell Line	CHO	Cricetulus griseus	IC50	=	16.2	nM	PMID[559952]
NPT165	Cell Line	HeLa	Homo sapiens	IC50	=	400.0	nM	PMID[559953]
NPT165	Cell Line	HeLa	Homo sapiens	IC50	=	15.0	nM	PMID[559954]
NPT1161	Cell Line	CHO	Cricetulus griseus	IC50	=	59.0	nM	PMID[559955]
NPT913	Cell Line	CHO-K1	Cricetulus griseus	IC50	=	20.0	nM	PMID[559956]
NPT517	Cell Line	Panel NCI-60 (60 carcinoma cell lines)	Homo sapiens	GI50	=	27.0	nM	PMID[559959]
NPT165	Cell Line	HeLa	Homo sapiens	IC50	=	13.0	nM	PMID[559960]
NPT1161	Cell Line	CHO	Cricetulus griseus	IC50	=	290.0	nM	PMID[559962]
NPT2846	Cell Line	BHK-21	Cricetulus griseus	CC50	=	2690.0	nM	PMID[559963]
NPT2679	Cell Line	LLC-MK2	Macaca mulatta	CC50	=	3630.0	nM	PMID[559963]
NPT913	Cell Line	CHO-K1	Cricetulus griseus	IC50	=	400.0	nM	PMID[559964]
NPT165	Cell Line	HeLa	Homo sapiens	Activity	=	0.013	%	PMID[559965]
NPT1161	Cell Line	CHO	Cricetulus griseus	IC50	=	40.0	nM	PMID[559966]
NPT153	Individual Protein	Androgen Receptor	Homo sapiens	Potency	n.a.	268.3	nM	PubChem BioAssay data set
NPT153	Individual Protein	Androgen Receptor	Homo sapiens	Potency	n.a.	105.9	nM	PubChem BioAssay data set
NPT152	Individual Protein	Nuclear factor erythroid 2-related factor 2	Homo sapiens	Potency	n.a.	10590.1	nM	PubChem BioAssay data set
NPT106	Individual Protein	Peroxisome proliferator-activated receptor delta	Homo sapiens	Potency	n.a.	33488.9	nM	PubChem BioAssay data set
NPT35	Others	n.a.		LogD	=	3.24	n.a.	PMID[559868]
NPT35	Others	n.a.		Log Kmemb	=	-2.6	n.a.	PMID[559869]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC50	>	2000.0	nM	PMID[559871]
NPT992	Organism	Entamoeba histolytica	Entamoeba histolytica	IC50	=	1.05	ug.mL-1	PMID[559873]
NPT2645	Organism	Giardia intestinalis	Giardia intestinalis	IC50	=	0.41	ug.mL-1	PMID[559873]
NPT633	Organism	Leishmania donovani	Leishmania donovani	IC50	=	0.03	ug.mL-1	PMID[559876]
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	IC50	=	0.0727	ug.mL-1	PMID[559876]
NPT2	Others	Unspecified		Ratio IC50	=	6.0	n.a.	PMID[559876]
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	IC50	=	0.078	ug.mL-1	PMID[559876]
NPT2	Others	Unspecified		Ratio IC50	=	5.0	n.a.	PMID[559876]
NPT633	Organism	Leishmania donovani	Leishmania donovani	IC90	=	0.13	ug.mL-1	PMID[559876]
NPT2	Others	Unspecified		Ratio	=	1.53	n.a.	PMID[559876]
NPT992	Organism	Entamoeba histolytica	Entamoeba histolytica	MIC	=	2900.0	nM	PMID[559877]
NPT21802	PROTEIN FAMILY	Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha	Homo sapiens	IC50	=	110.0	nM	PMID[559878]
NPT21802	PROTEIN FAMILY	Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha	Homo sapiens	MIC	=	300.0	nM	PMID[559878]
NPT21802	PROTEIN FAMILY	Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha	Homo sapiens	Inhibition	=	18.0	%	PMID[559878]
NPT21802	PROTEIN FAMILY	Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha	Homo sapiens	Inhibition	=	50.0	%	PMID[559878]
NPT2	Others	Unspecified		Inhibition	=	69.0	%	PMID[559878]
NPT21802	PROTEIN FAMILY	Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha	Homo sapiens	IC50	=	83.0	nM	PMID[559878]
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	XC50	=	213.6	nM	PMID[559882]
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	Inhibition	=	0.0	%	PMID[559882]
NPT2	Others	Unspecified		IFI	=	9.86	%	PMID[559882]
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	Inhibition	=	99.0	%	PMID[559882]
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	Inhibition	=	100.0	%	PMID[559882]
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	EC50	=	10.15	nM	PMID[559883]
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	EC50	=	22.94	nM	PMID[559883]
NPT2	Others	Unspecified		IFI	=	23.81	%	PMID[559883]
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	Ratio IC50	=	0.4	n.a.	PMID[559887]
NPT312	Organism	Saccharomyces cerevisiae	Saccharomyces cerevisiae	Potency	=	920.0	nM	PMID[559888]
NPT940	Individual Protein	Serine/threonine-protein kinase mTOR	Homo sapiens	Potency	=	5211.9	nM	PMID[559888]
NPT940	Individual Protein	Serine/threonine-protein kinase mTOR	Homo sapiens	Potency	=	1849.3	nM	PMID[559888]
NPT475	Organism	Plasmodium yoelii	Plasmodium yoelii	IC50	=	7.49	nM	PMID[559894]
NPT475	Organism	Plasmodium yoelii	Plasmodium yoelii	Schizont size	=	26.51	um	PMID[559894]
NPT7	Individual Protein	Thioredoxin reductase 1, cytoplasmic	Rattus norvegicus	Potency	n.a.	3548.1	nM	PMID[559888]
NPT803	Individual Protein	Flap endonuclease 1	Homo sapiens	Potency	n.a.	29934.9	nM	PMID[559888]
NPT2	Others	Unspecified		Potency	n.a.	326.3	nM	PMID[559896]
NPT2	Others	Unspecified		Potency	n.a.	223.9	nM	PMID[559897]
NPT2	Others	Unspecified		Potency	n.a.	326.3	nM	PMID[559888]
NPT668	Individual Protein	P-glycoprotein 1	Homo sapiens	Papp	=	9.61	nm/s	PMID[559898]
NPT668	Individual Protein	P-glycoprotein 1	Homo sapiens	Papp	=	281.0	nm/s	PMID[559898]
NPT668	Individual Protein	P-glycoprotein 1	Homo sapiens	Ratio_Papp	=	29.2	n.a.	PMID[559898]
NPT668	Individual Protein	P-glycoprotein 1	Homo sapiens	Ratio_ATPase activity	=	2.54	n.a.	PMID[559898]
NPT668	Individual Protein	P-glycoprotein 1	Homo sapiens	% maximum response	=	3.39	%	PMID[559898]
NPT2	Others	Unspecified		IC50	=	2356.0	nM	PMID[559899]
NPT2	Others	Unspecified		Ki	=	2094.0	nM	PMID[559899]
NPT705	Individual Protein	Solute carrier family 22 member 5	Homo sapiens	Activity	=	16.6	%	PMID[559905]
NPT668	Individual Protein	P-glycoprotein 1	Homo sapiens	Km	=	6000.0	nM	PMID[559906]
NPT668	Individual Protein	P-glycoprotein 1	Homo sapiens	IC50	=	115600.0	nM	PMID[559907]
NPT668	Individual Protein	P-glycoprotein 1	Homo sapiens	IC50	=	130300.0	nM	PMID[559907]
NPT668	Individual Protein	P-glycoprotein 1	Homo sapiens	IC50	=	2400.0	nM	PMID[559907]
NPT668	Individual Protein	P-glycoprotein 1	Homo sapiens	IC50	=	207100.0	nM	PMID[559907]
NPT668	Individual Protein	P-glycoprotein 1	Homo sapiens	IC50	=	35100.0	nM	PMID[559907]
NPT668	Individual Protein	P-glycoprotein 1	Homo sapiens	IC50	=	9200.0	nM	PMID[559907]
NPT668	Individual Protein	P-glycoprotein 1	Homo sapiens	IC50	=	9600.0	nM	PMID[559907]
NPT2645	Organism	Giardia intestinalis	Giardia intestinalis	IC50	=	830.0	nM	PMID[559915]
NPT3535	Organism	Entamoeba histolytica HM-1:IMSS	Entamoeba histolytica HM-1:IMSS	IC50	=	2180.0	nM	PMID[559915]
NPT2	Others	Unspecified		Potency	n.a.	100.0	nM	PMID[559911]
NPT2	Others	Unspecified		Potency	n.a.	9200.0	nM	PMID[559888]
NPT2	Others	Unspecified		Potency	n.a.	398.1	nM	PMID[559911]
NPT2	Others	Unspecified		Potency	n.a.	1412.5	nM	PMID[559911]
NPT2	Others	Unspecified		Potency	n.a.	631.0	nM	PMID[559888]
NPT27	Others	Unspecified		IC50	=	50.0	nM	PMID[559921]
NPT943	Individual Protein	Hexose transporter 1	Plasmodium falciparum	IC50	=	90.0	nM	PMID[559923]
NPT944	Individual Protein	Glucose transporter	Leishmania mexicana	Inhibition	=	90.27	%	PMID[559923]
NPT944	Individual Protein	Glucose transporter	Leishmania mexicana	IC50	=	81.0	nM	PMID[559923]
NPT942	Individual Protein	Glucose transporter	Homo sapiens	IC50	=	108.0	nM	PMID[559923]
NPT942	Individual Protein	Glucose transporter	Homo sapiens	Inhibition	=	96.79	%	PMID[559923]
NPT943	Individual Protein	Hexose transporter 1	Plasmodium falciparum	Inhibition	=	94.03	%	PMID[559923]
NPT27	Others	Unspecified		Ratio	=	53.0	n.a.	PMID[559924]
NPT27	Others	Unspecified		Ratio	=	0.6	n.a.	PMID[559924]
NPT27	Others	Unspecified		Papp	=	2.0	ucm/s	PMID[559924]
NPT27	Others	Unspecified		Papp	=	3.6	ucm/s	PMID[559924]
NPT27	Others	Unspecified		Ratio	=	2.6	n.a.	PMID[559924]
NPT27	Others	Unspecified		Papp	=	6.0	ucm/s	PMID[559924]
NPT27	Others	Unspecified		Papp	=	2.4	ucm/s	PMID[559924]
NPT27	Others	Unspecified		Ratio	=	78.0	n.a.	PMID[559924]
NPT27	Others	Unspecified		Ratio	=	66.0	n.a.	PMID[559924]
NPT2	Others	Unspecified		AC50	n.a.	25118.9	nM	PMID[559925]
NPT2	Others	Unspecified		IC50	n.a.	10000.0	nM	PMID[559925]
NPT2	Others	Unspecified		IC50	=	16.34	nM	PMID[559925]
NPT2	Others	Unspecified		IC50	=	11.58	nM	PMID[559925]
NPT2	Others	Unspecified		IC50	=	1.0	nM	PMID[559925]
NPT2	Others	Unspecified		IC50	=	32.66	nM	PMID[559925]
NPT2	Others	Unspecified		Ac50	n.a.	17.78	uM	PMID[559925]
NPT2	Others	Unspecified		IC50	=	61.47	nM	PMID[559925]
NPT2	Others	Unspecified		IC50	=	2.28	nM	PMID[559925]
NPT2	Others	Unspecified		Ac50	n.a.	25.12	uM	PMID[559925]
NPT2	Others	Unspecified		IC50	=	8.31	nM	PMID[559925]
NPT2	Others	Unspecified		IC50	=	22.1	nM	PMID[559925]
NPT2	Others	Unspecified		IC50	=	947.7	nM	PMID[559925]
NPT2	Others	Unspecified		AC50	n.a.	17782.8	nM	PMID[559925]
NPT3535	Organism	Entamoeba histolytica HM-1:IMSS	Entamoeba histolytica HM-1:IMSS	IC50	=	2180.0	nM	PMID[559930]
NPT2645	Organism	Giardia intestinalis	Giardia intestinalis	IC50	=	830.0	nM	PMID[559930]
NPT27	Others	Unspecified		IC50	=	50.0	nM	PMID[559934]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC50	=	50.0	nM	PMID[559935]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC50	=	290.0	nM	PMID[559935]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALT	=	43.33	U.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALB	=	41500.0	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALP	=	368.0	U.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	AST	=	93.0	U.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BUN	=	123.3	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CO2	=	27170000.0	nM	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHLORIDE	=	99.5	mEq.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHOL	=	656.7	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CREAT	=	2.3	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	GLUC	=	1816.7	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LDH	=	380.17	U.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LIPASE	=	9.33	U.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PHOS	=	131.0	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	POTASSIUM	=	6.28	mEq.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	SODIUM	=	143.03	mEq.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BILI	=	1.8	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PROT	=	61200.0	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	URATE	=	24.7	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BASO	=	0.0	cells.uL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EOS	=	77.5	cells.uL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYM	=	12568.83	cells.uL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONO	=	704.67	cells.uL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTSG	=	2365.67	cells.uL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BASOLE	=	0.0	%	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EOSLE	=	0.5	%	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RBC	=	5830000.0	cells.uL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HCT	=	36.08	%	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HGB	=	132200.0	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WBC	=	15720.0	cells.uL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYMLE	=	80.0	%	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCH	=	22.68	pg	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCHC	=	366300.0	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCV	=	61.88	fL	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONOLE	=	4.5	%	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTLE	=	15.0	%	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RBCNUC	=	0.0	/100WBC	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PLAT	=	1020500.0	cells.uL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALT	=	60.83	U.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALB	=	42200.0	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALP	=	392.5	U.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	AST	=	97.0	U.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BUN	=	165.0	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CO2	=	29830000.0	nM	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHLORIDE	=	101.83	mEq.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHOL	=	725.0	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CREAT	=	2.8	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	GLUC	=	1953.3	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LDH	=	240.33	U.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LIPASE	=	9.67	U.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PHOS	=	124.7	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	POTASSIUM	=	6.15	mEq.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	SODIUM	=	145.38	mEq.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BILI	=	1.7	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PROT	=	67000.0	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	URATE	=	24.2	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EOS	=	109.67	cells.uL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYM	=	11168.33	cells.uL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONO	=	226.17	cells.uL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTSG	=	695.83	cells.uL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EOSLE	=	0.83	%	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RBC	=	6200000.0	cells.uL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HCT	=	37.68	%	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HGB	=	136700.0	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WBC	=	12200.0	cells.uL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYMLE	=	91.83	%	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCH	=	22.08	pg	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCHC	=	363000.0	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCV	=	60.77	fL	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONOLE	=	1.83	%	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTLE	=	5.5	%	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PLAT	=	755670.0	cells.uL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALT	=	56.5	U.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALB	=	40700.0	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALP	=	316.5	U.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	AST	=	131.0	U.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BUN	=	143.3	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHLORIDE	=	100.5	mEq.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHOL	=	658.3	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	GLUC	=	2688.3	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LDH	=	343.0	U.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PHOS	=	139.5	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	POTASSIUM	=	5.37	mEq.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	SODIUM	=	146.53	mEq.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BILI	=	1.2	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PROT	=	63700.0	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	URATE	=	19.7	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EOS	=	50.0	cells.uL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYM	=	12777.0	cells.uL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONO	=	280.67	cells.uL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTSG	=	875.67	cells.uL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RBC	=	6420000.0	cells.uL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HCT	=	39.13	%	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HGB	=	141700.0	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WBC	=	13980.0	cells.uL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYMLE	=	90.83	%	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCH	=	22.1	pg	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCHC	=	362000.0	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCV	=	61.07	fL	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONOLE	=	2.0	%	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTLE	=	6.67	%	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PLAT	=	838670.0	cells.uL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALT	=	53.33	U.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALB	=	41300.0	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALP	=	293.67	U.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	AST	=	96.83	U.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BUN	=	155.0	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CO2	=	32170000.0	nM	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHLORIDE	=	101.33	mEq.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHOL	=	640.0	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CREAT	=	2.5	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	GLUC	=	1786.7	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LDH	=	179.5	U.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LIPASE	=	9.17	U.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PHOS	=	108.8	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	POTASSIUM	=	5.91	mEq.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	SODIUM	=	145.68	mEq.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BILI	=	2.0	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PROT	=	63800.0	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	URATE	=	11.2	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EOS	=	111.67	cells.uL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYM	=	12370.33	cells.uL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONO	=	653.33	cells.uL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTSG	=	1414.67	cells.uL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EOSLE	=	0.67	%	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RBC	=	6030000.0	cells.uL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HCT	=	36.65	%	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HGB	=	134000.0	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WBC	=	14550.0	cells.uL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYMLE	=	85.33	%	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCH	=	22.27	pg	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCHC	=	365800.0	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCV	=	60.85	fL	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTLE	=	9.5	%	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PLAT	=	942000.0	cells.uL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALT	=	45.67	U.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALB	=	39700.0	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALP	=	344.0	U.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	AST	=	124.0	U.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BUN	=	133.3	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CO2	=	27000000.0	nM	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHLORIDE	=	100.0	mEq.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHOL	=	666.7	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CREAT	=	2.2	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	GLUC	=	1820.0	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LDH	=	467.33	U.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PHOS	=	141.7	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	POTASSIUM	=	6.56	mEq.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	SODIUM	=	143.9	mEq.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PROT	=	60700.0	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	URATE	=	21.7	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EOS	=	92.0	cells.uL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYM	=	11430.0	cells.uL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONO	=	510.0	cells.uL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTSG	=	1901.33	cells.uL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RBC	=	5800000.0	cells.uL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HCT	=	35.23	%	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HGB	=	126300.0	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WBC	=	13930.0	cells.uL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYMLE	=	82.0	%	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCH	=	21.77	pg	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCHC	=	358700.0	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCV	=	60.83	fL	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONOLE	=	3.67	%	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTLE	=	13.67	%	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PLAT	=	1110670.0	cells.uL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALT	=	66.33	U.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALB	=	40300.0	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALP	=	365.0	U.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	AST	=	82.33	U.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BUN	=	176.7	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CO2	=	34670000.0	nM	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHLORIDE	=	100.33	mEq.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHOL	=	630.0	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	GLUC	=	1803.3	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LDH	=	120.33	U.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LIPASE	=	9.0	U.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PHOS	=	118.3	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	POTASSIUM	=	6.48	mEq.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	SODIUM	=	146.33	mEq.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PROT	=	62700.0	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	URATE	=	17.3	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EOS	=	235.33	cells.uL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYM	=	9173.33	cells.uL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONO	=	141.33	cells.uL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTSG	=	916.67	cells.uL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EOSLE	=	2.33	%	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RBC	=	6530000.0	cells.uL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HCT	=	38.67	%	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HGB	=	139700.0	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WBC	=	10470.0	cells.uL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYMLE	=	88.0	%	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCH	=	21.37	pg	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCHC	=	361000.0	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCV	=	59.2	fL	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONOLE	=	1.33	%	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTLE	=	8.33	%	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PLAT	=	1026330.0	cells.uL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALT	=	57.0	U.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALB	=	38300.0	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALP	=	325.0	U.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	AST	=	102.33	U.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BUN	=	166.7	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CO2	=	28670000.0	nM	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHLORIDE	=	100.67	mEq.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHOL	=	526.7	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	GLUC	=	2726.7	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LDH	=	312.0	U.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LIPASE	=	8.67	U.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PHOS	=	149.7	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	POTASSIUM	=	5.87	mEq.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	SODIUM	=	146.87	mEq.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BILI	=	1.0	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PROT	=	59000.0	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	URATE	=	28.0	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EOS	=	107.33	cells.uL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYM	=	9674.67	cells.uL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONO	=	240.33	cells.uL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTSG	=	1811.0	cells.uL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EOSLE	=	1.0	%	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RBC	=	6230000.0	cells.uL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HCT	=	37.3	%	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WBC	=	11830.0	cells.uL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYMLE	=	82.67	%	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCH	=	21.93	pg	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCHC	=	366700.0	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCV	=	59.8	fL	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTLE	=	14.33	%	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PLAT	=	1167330.0	cells.uL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALT	=	45.2	U.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALB	=	40200.0	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALP	=	253.2	U.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	AST	=	99.0	U.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BUN	=	136.0	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CO2	=	31800000.0	nM	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHLORIDE	=	101.0	mEq.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHOL	=	622.0	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CREAT	=	1.4	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	GLUC	=	1432.0	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LDH	=	172.6	U.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LIPASE	=	8.8	U.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PHOS	=	115.4	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	POTASSIUM	=	6.76	mEq.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	SODIUM	=	145.5	mEq.L-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PROT	=	58200.0	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	URATE	=	16.6	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EOS	=	124.6	cells.uL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYM	=	16602.4	cells.uL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONO	=	725.4	cells.uL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTSG	=	1987.6	cells.uL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EOSLE	=	0.6	%	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RBC	=	6660000.0	cells.uL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HCT	=	38.76	%	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HGB	=	141800.0	ug.mL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WBC	=	19440.0	cells.uL-1	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYMLE	=	85.6	%	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCH	=	21.32	pg	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCV	=	58.24	fL	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONOLE	=	3.6	%	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTLE	=	10.2	%	PMID[559936]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PLAT	=	1306200.0	cells.uL-1	PMID[559936]
NPT713	Individual Protein	Bile salt export pump	Homo sapiens	IC50	>	135000.0	nM	PMID[559938]
NPT713	Individual Protein	Bile salt export pump	Homo sapiens	IC50	>	133000.0	nM	PMID[559940]
NPT32	Organism	Mus musculus	Mus musculus	MTD	=	8.0	mg kg-1	PMID[559943]
NPT21851	SINGLE PROTEIN	Dihydroorotate dehydrogenase (fumarate)	Leishmania major	IC50	=	1074000.0	nM	PMID[559947]
NPT21851	SINGLE PROTEIN	Dihydroorotate dehydrogenase (fumarate)	Leishmania major	IC50	=	1000000.0	nM	PMID[559947]
NPT1018	Organism	Trypanosoma brucei	Trypanosoma brucei	IC50	=	40.0	nM	PMID[559947]
NPT25810	ORGANISM	Trypanosoma congolense	Trypanosoma congolense	IC50	=	430.0	nM	PMID[559947]
NPT992	Organism	Entamoeba histolytica	Entamoeba histolytica	IC50	=	2200.0	nM	PMID[559949]
NPT2645	Organism	Giardia intestinalis	Giardia intestinalis	IC50	=	800.0	nM	PMID[559949]
NPT25907	SINGLE PROTEIN	NS5	Zika virus	EC50	=	52.9	nM	PMID[559951]
NPT25907	SINGLE PROTEIN	NS5	Zika virus	EC50	=	8.74	nM	PMID[559951]
NPT20556	SINGLE PROTEIN	Replicase polyprotein 1ab	Severe acute respiratory syndrome coronavirus 2	Inhibition	=	15.34	%	PMID[559957]
NPT20555	ORGANISM	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	Inhibition	=	-0.33	%	PMID[559958]
NPT20555	ORGANISM	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	IC50	>	20000.0	nM	PMID[559961]
NPT20555	ORGANISM	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	IC50	>	19952.62	nM	PMID[559961]
NPT2	Others	Unspecified		EC50	=	300.0	nM	PMID[559963]
NPT2	Others	Unspecified		Ratio CC50/EC50	=	9.0	n.a.	PMID[559963]
NPT2	Others	Unspecified		EC50	=	1430.0	nM	PMID[559963]
NPT2	Others	Unspecified		Ratio CC50/EC50	=	2.5	n.a.	PMID[559963]
NPT2	Others	Unspecified		Potency	n.a.	668.2	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	133.3	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	595.6	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	211.3	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	10682.2	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	2129.3	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	2660.1	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	84.1	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	3757.8	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	84.9	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	37.6	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	3757.5	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	220.9	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	9520.5	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	26601.1	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	167.9	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	4252.7	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	23.7	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	1508.9	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	10590.1	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	11883.2	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	118.8	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	237.1	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	18.8	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	1059.1	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	334.9	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	266	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	3010.7	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	749.8	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	1693	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	943.9	nM	PubChem BioAssay data set

☑ Note for Activity Records:
☉ The quantitative biological activities were primarily integrated from ChEMBL (Version-30) database and were also directly collected from PubMed literature. PubMed PMID was provided as the reference link for each activity record.

Chemically structural similarity: I. Similar Active Natural Products in NPASS

Top-200 similar NPs were calculated against the active-NP-set (includes 4,3285 NPs with experimentally-derived bioactivity available in NPASS)

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

● The left chart: Distribution of similarity level between NPC187022 and all remaining natural products in the NPASS database.
● The right table: Most similar natural products (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	329
0.1-0.2	1491
0.2-0.3	7724
0.3-0.4	10165
0.4-0.5	8976
0.5-0.6	11036
0.6-0.7	2195
0.7-0.8	569
0.8-0.85	149
0.85-0.9	53
0.9-0.95	6
0.95-1	4

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC80129
0.9539	High Similarity	NPC121275
0.9539	High Similarity	NPC284183
0.9539	High Similarity	NPC4138
0.9295	High Similarity	NPC109925
0.9241	High Similarity	NPC128019
0.9241	High Similarity	NPC136860
0.9241	High Similarity	NPC476567
0.9221	High Similarity	NPC475393
0.906	High Similarity	NPC7467
0.8993	High Similarity	NPC210437
0.8993	High Similarity	NPC106295
0.8993	High Similarity	NPC476144
0.8993	High Similarity	NPC16107
0.8993	High Similarity	NPC51957
0.8973	High Similarity	NPC474915
0.8973	High Similarity	NPC328750
0.8973	High Similarity	NPC188163
0.8973	High Similarity	NPC213206
0.8904	High Similarity	NPC314682
0.8903	High Similarity	NPC216816
0.8897	High Similarity	NPC253429
0.8896	High Similarity	NPC247639
0.8896	High Similarity	NPC25084
0.8874	High Similarity	NPC60538
0.8874	High Similarity	NPC207824
0.8816	High Similarity	NPC97221
0.8816	High Similarity	NPC220858
0.8816	High Similarity	NPC151895
0.8816	High Similarity	NPC88249
0.8816	High Similarity	NPC192768
0.8758	High Similarity	NPC108434
0.8758	High Similarity	NPC475215
0.8758	High Similarity	NPC277669
0.8758	High Similarity	NPC76213
0.8701	High Similarity	NPC210148
0.8701	High Similarity	NPC233029
0.8667	High Similarity	NPC239584
0.8654	High Similarity	NPC126519
0.8654	High Similarity	NPC203784
0.8654	High Similarity	NPC170503
0.8654	High Similarity	NPC146288
0.8627	High Similarity	NPC92541
0.8621	High Similarity	NPC160692
0.8609	High Similarity	NPC185838
0.8606	High Similarity	NPC475479
0.8606	High Similarity	NPC243454
0.859	High Similarity	NPC5238
0.859	High Similarity	NPC110416
0.859	High Similarity	NPC207757
0.859	High Similarity	NPC172765
0.859	High Similarity	NPC469817
0.859	High Similarity	NPC39701
0.859	High Similarity	NPC138487
0.859	High Similarity	NPC216459
0.859	High Similarity	NPC184026
0.859	High Similarity	NPC54379
0.859	High Similarity	NPC276588
0.859	High Similarity	NPC189266
0.859	High Similarity	NPC2413
0.859	High Similarity	NPC193949
0.859	High Similarity	NPC249797
0.859	High Similarity	NPC41178
0.859	High Similarity	NPC204828
0.859	High Similarity	NPC295691
0.859	High Similarity	NPC278799
0.859	High Similarity	NPC127674
0.8562	High Similarity	NPC24233
0.8562	High Similarity	NPC135538
0.8562	High Similarity	NPC428
0.8562	High Similarity	NPC147390
0.8562	High Similarity	NPC476571
0.8562	High Similarity	NPC475959
0.8562	High Similarity	NPC246587
0.8526	High Similarity	NPC477564
0.8526	High Similarity	NPC2295
0.8519	High Similarity	NPC66573
0.8516	High Similarity	NPC476568
0.8509	High Similarity	NPC317272
0.8509	High Similarity	NPC256012
0.8509	High Similarity	NPC250846
0.8509	High Similarity	NPC268503
0.8509	High Similarity	NPC240841
0.8509	High Similarity	NPC42549
0.8497	Intermediate Similarity	NPC144863
0.8497	Intermediate Similarity	NPC179825
0.8497	Intermediate Similarity	NPC191376
0.8497	Intermediate Similarity	NPC321505
0.8428	Intermediate Similarity	NPC111485
0.8421	Intermediate Similarity	NPC294249
0.8418	Intermediate Similarity	NPC234392
0.8418	Intermediate Similarity	NPC31311
0.8414	Intermediate Similarity	NPC160193
0.8397	Intermediate Similarity	NPC326316
0.8397	Intermediate Similarity	NPC81733
0.8397	Intermediate Similarity	NPC476579
0.8377	Intermediate Similarity	NPC476151
0.8364	Intermediate Similarity	NPC129518
0.8364	Intermediate Similarity	NPC251580
0.8364	Intermediate Similarity	NPC41376
0.8364	Intermediate Similarity	NPC12424
0.8354	Intermediate Similarity	NPC99659
0.8354	Intermediate Similarity	NPC325871
0.8344	Intermediate Similarity	NPC204947
0.8323	Intermediate Similarity	NPC130941
0.8314	Intermediate Similarity	NPC191132
0.8314	Intermediate Similarity	NPC60295
0.8313	Intermediate Similarity	NPC477080
0.8303	Intermediate Similarity	NPC317439
0.8303	Intermediate Similarity	NPC317145
0.8303	Intermediate Similarity	NPC227060
0.8303	Intermediate Similarity	NPC63646
0.8303	Intermediate Similarity	NPC115284
0.8303	Intermediate Similarity	NPC198498
0.8303	Intermediate Similarity	NPC10908
0.8303	Intermediate Similarity	NPC276890
0.8303	Intermediate Similarity	NPC76682
0.8282	Intermediate Similarity	NPC304659
0.8282	Intermediate Similarity	NPC86144
0.8282	Intermediate Similarity	NPC476573
0.8282	Intermediate Similarity	NPC81247
0.8282	Intermediate Similarity	NPC35627
0.8269	Intermediate Similarity	NPC103379
0.8269	Intermediate Similarity	NPC477565
0.8269	Intermediate Similarity	NPC219162
0.8256	Intermediate Similarity	NPC175890
0.8256	Intermediate Similarity	NPC82457
0.8256	Intermediate Similarity	NPC11296
0.8256	Intermediate Similarity	NPC48490
0.8256	Intermediate Similarity	NPC274661
0.8256	Intermediate Similarity	NPC281581
0.825	Intermediate Similarity	NPC476572
0.8247	Intermediate Similarity	NPC130926
0.8242	Intermediate Similarity	NPC69712
0.8242	Intermediate Similarity	NPC26240
0.8242	Intermediate Similarity	NPC477562
0.8242	Intermediate Similarity	NPC6152
0.8228	Intermediate Similarity	NPC37272
0.8224	Intermediate Similarity	NPC323204
0.8221	Intermediate Similarity	NPC24465
0.8221	Intermediate Similarity	NPC232514
0.8221	Intermediate Similarity	NPC276944
0.8221	Intermediate Similarity	NPC238530
0.8218	Intermediate Similarity	NPC256124
0.8171	Intermediate Similarity	NPC13916
0.8171	Intermediate Similarity	NPC264850
0.816	Intermediate Similarity	NPC189470
0.8155	Intermediate Similarity	NPC293093
0.8151	Intermediate Similarity	NPC172403
0.8144	Intermediate Similarity	NPC477020
0.8144	Intermediate Similarity	NPC66341
0.8144	Intermediate Similarity	NPC192135
0.8141	Intermediate Similarity	NPC95075
0.8141	Intermediate Similarity	NPC90844
0.8141	Intermediate Similarity	NPC253883
0.8049	Intermediate Similarity	NPC324144
0.8039	Intermediate Similarity	NPC323123
0.8037	Intermediate Similarity	NPC266753
0.8037	Intermediate Similarity	NPC27410
0.8037	Intermediate Similarity	NPC160298
0.8037	Intermediate Similarity	NPC166014
0.8037	Intermediate Similarity	NPC232924
0.8037	Intermediate Similarity	NPC477559
0.8037	Intermediate Similarity	NPC306902
0.8023	Intermediate Similarity	NPC274716
0.8023	Intermediate Similarity	NPC167116
0.8023	Intermediate Similarity	NPC254441
0.8013	Intermediate Similarity	NPC11147
0.8012	Intermediate Similarity	NPC286119
0.8012	Intermediate Similarity	NPC93593
0.8012	Intermediate Similarity	NPC244112
0.8	Intermediate Similarity	NPC136508
0.8	Intermediate Similarity	NPC167546
0.8	Intermediate Similarity	NPC477563
0.8	Intermediate Similarity	NPC212794
0.8	Intermediate Similarity	NPC39103
0.8	Intermediate Similarity	NPC13504
0.8	Intermediate Similarity	NPC169743
0.8	Intermediate Similarity	NPC16805
0.8	Intermediate Similarity	NPC96603
0.8	Intermediate Similarity	NPC2770
0.8	Intermediate Similarity	NPC306843
0.8	Intermediate Similarity	NPC196447
0.8	Intermediate Similarity	NPC253043
0.8	Intermediate Similarity	NPC78222
0.8	Intermediate Similarity	NPC302527
0.7987	Intermediate Similarity	NPC470925
0.7987	Intermediate Similarity	NPC274026
0.7975	Intermediate Similarity	NPC106786
0.7974	Intermediate Similarity	NPC211468
0.7974	Intermediate Similarity	NPC170170
0.7974	Intermediate Similarity	NPC219233
0.7965	Intermediate Similarity	NPC223690
0.7965	Intermediate Similarity	NPC285931
0.7965	Intermediate Similarity	NPC290582
0.7965	Intermediate Similarity	NPC229373
0.7965	Intermediate Similarity	NPC222661
0.7965	Intermediate Similarity	NPC90998
0.7965	Intermediate Similarity	NPC73492
0.7965	Intermediate Similarity	NPC290005

Chemically structural similarity: II. Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC187022 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	186
0.1-0.2	664
0.2-0.3	1010
0.3-0.4	1710
0.4-0.5	2876
0.5-0.6	1836
0.6-0.7	676
0.7-0.8	165
0.8-0.85	18
0.85-0.9	8
0.9-0.95	0
0.95-1	1

Similarity Score	Similarity Level	Drug ID	Developmental Stage
1.0	High Similarity	NPD7298	Approved
0.8993	High Similarity	NPD4584	Approved
0.8973	High Similarity	NPD4664	Clinical (unspecified phase)
0.8679	High Similarity	NPD6107	Approved
0.8627	High Similarity	NPD6030	Approved
0.8627	High Similarity	NPD6031	Approved
0.8506	High Similarity	NPD3639	Approved
0.8506	High Similarity	NPD3641	Approved
0.8506	High Similarity	NPD3640	Phase 3
0.8408	Intermediate Similarity	NPD4772	Phase 2
0.8408	Intermediate Similarity	NPD4773	Phase 2
0.8395	Intermediate Similarity	NPD4166	Phase 2
0.8312	Intermediate Similarity	NPD3124	Discontinued
0.8303	Intermediate Similarity	NPD8251	Approved
0.8303	Intermediate Similarity	NPD8252	Approved
0.8303	Intermediate Similarity	NPD8099	Discontinued
0.828	Intermediate Similarity	NPD4017	Approved
0.8253	Intermediate Similarity	NPD8156	Discontinued
0.8194	Intermediate Similarity	NPD7598	Phase 2
0.8108	Intermediate Similarity	NPD5718	Phase 2
0.8105	Intermediate Similarity	NPD7045	Clinical (unspecified phase)
0.807	Intermediate Similarity	NPD6618	Phase 2
0.8049	Intermediate Similarity	NPD7201	Clinical (unspecified phase)
0.8047	Intermediate Similarity	NPD6297	Approved
0.8026	Intermediate Similarity	NPD6028	Clinical (unspecified phase)
0.8026	Intermediate Similarity	NPD6029	Clinical (unspecified phase)
0.7965	Intermediate Similarity	NPD6851	Approved
0.7965	Intermediate Similarity	NPD8053	Approved
0.7965	Intermediate Similarity	NPD8054	Approved
0.7965	Intermediate Similarity	NPD6853	Approved
0.7961	Intermediate Similarity	NPD6896	Approved
0.7961	Intermediate Similarity	NPD6895	Approved
0.7929	Intermediate Similarity	NPD5312	Approved
0.7929	Intermediate Similarity	NPD5313	Approved
0.7919	Intermediate Similarity	NPD2669	Clinical (unspecified phase)
0.7892	Intermediate Similarity	NPD7802	Discontinued
0.7853	Intermediate Similarity	NPD6818	Clinical (unspecified phase)
0.7844	Intermediate Similarity	NPD4010	Discontinued
0.7799	Intermediate Similarity	NPD1424	Approved
0.7785	Intermediate Similarity	NPD2422	Clinical (unspecified phase)
0.7785	Intermediate Similarity	NPD3845	Phase 1
0.7758	Intermediate Similarity	NPD6788	Approved
0.775	Intermediate Similarity	NPD3647	Clinical (unspecified phase)
0.7746	Intermediate Similarity	NPD8453	Clinical (unspecified phase)
0.7733	Intermediate Similarity	NPD5752	Clinical (unspecified phase)
0.7722	Intermediate Similarity	NPD5241	Discontinued
0.7716	Intermediate Similarity	NPD7261	Clinical (unspecified phase)
0.7711	Intermediate Similarity	NPD7831	Phase 2
0.7711	Intermediate Similarity	NPD7833	Phase 2
0.7711	Intermediate Similarity	NPD7832	Clinical (unspecified phase)
0.7706	Intermediate Similarity	NPD5602	Clinical (unspecified phase)
0.7658	Intermediate Similarity	NPD3977	Clinical (unspecified phase)
0.7628	Intermediate Similarity	NPD1632	Clinical (unspecified phase)
0.7622	Intermediate Similarity	NPD7109	Clinical (unspecified phase)
0.7622	Intermediate Similarity	NPD7110	Phase 1
0.7614	Intermediate Similarity	NPD5087	Clinical (unspecified phase)
0.7595	Intermediate Similarity	NPD3060	Approved
0.7595	Intermediate Similarity	NPD4162	Approved
0.7582	Intermediate Similarity	NPD554	Clinical (unspecified phase)
0.7576	Intermediate Similarity	NPD5720	Discontinued
0.7562	Intermediate Similarity	NPD7124	Phase 2
0.7532	Intermediate Similarity	NPD3110	Approved
0.7532	Intermediate Similarity	NPD3109	Approved
0.75	Intermediate Similarity	NPD5084	Clinical (unspecified phase)
0.7485	Intermediate Similarity	NPD5978	Approved
0.7485	Intermediate Similarity	NPD4727	Phase 1
0.7485	Intermediate Similarity	NPD5977	Approved
0.7485	Intermediate Similarity	NPD6687	Approved
0.7485	Intermediate Similarity	NPD6688	Approved
0.7469	Intermediate Similarity	NPD1754	Clinical (unspecified phase)
0.7457	Intermediate Similarity	NPD5708	Clinical (unspecified phase)
0.7455	Intermediate Similarity	NPD6876	Approved
0.7455	Intermediate Similarity	NPD6875	Approved
0.7453	Intermediate Similarity	NPD6783	Clinical (unspecified phase)
0.7446	Intermediate Similarity	NPD8095	Phase 1
0.7442	Intermediate Similarity	NPD4481	Phase 3
0.7442	Intermediate Similarity	NPD2898	Approved
0.744	Intermediate Similarity	NPD4581	Clinical (unspecified phase)
0.7436	Intermediate Similarity	NPD2653	Approved
0.7432	Intermediate Similarity	NPD7034	Discontinued
0.743	Intermediate Similarity	NPD7291	Discontinued
0.7427	Intermediate Similarity	NPD3051	Approved
0.7427	Intermediate Similarity	NPD6071	Discontinued
0.7391	Intermediate Similarity	NPD5307	Clinical (unspecified phase)
0.7384	Intermediate Similarity	NPD2969	Approved
0.7384	Intermediate Similarity	NPD2970	Approved
0.7378	Intermediate Similarity	NPD6662	Clinical (unspecified phase)
0.7371	Intermediate Similarity	NPD7479	Phase 2
0.7355	Intermediate Similarity	NPD3532	Approved
0.7355	Intermediate Similarity	NPD3530	Approved
0.7355	Intermediate Similarity	NPD3531	Approved
0.7351	Intermediate Similarity	NPD7258	Clinical (unspecified phase)
0.7346	Intermediate Similarity	NPD2120	Phase 2
0.7345	Intermediate Similarity	NPD7132	Clinical (unspecified phase)
0.7341	Intermediate Similarity	NPD27	Approved
0.7341	Intermediate Similarity	NPD2489	Approved
0.7329	Intermediate Similarity	NPD6658	Clinical (unspecified phase)
0.7325	Intermediate Similarity	NPD2986	Phase 2
0.7325	Intermediate Similarity	NPD2989	Phase 2
0.7321	Intermediate Similarity	NPD4585	Approved
0.7321	Intermediate Similarity	NPD2978	Approved
0.7321	Intermediate Similarity	NPD2977	Approved
0.7312	Intermediate Similarity	NPD6612	Phase 2
0.7312	Intermediate Similarity	NPD7153	Discontinued
0.7303	Intermediate Similarity	NPD5917	Clinical (unspecified phase)
0.7301	Intermediate Similarity	NPD2421	Approved
0.7301	Intermediate Similarity	NPD2420	Approved
0.7283	Intermediate Similarity	NPD7667	Clinical (unspecified phase)
0.7283	Intermediate Similarity	NPD4083	Discontinued
0.7273	Intermediate Similarity	NPD5976	Discontinued
0.7267	Intermediate Similarity	NPD5177	Phase 3
0.7255	Intermediate Similarity	NPD7905	Discontinued
0.7244	Intermediate Similarity	NPD4474	Approved
0.7244	Intermediate Similarity	NPD4475	Approved
0.7222	Intermediate Similarity	NPD6748	Discontinued
0.7212	Intermediate Similarity	NPD7527	Clinical (unspecified phase)
0.7212	Intermediate Similarity	NPD7526	Approved
0.7212	Intermediate Similarity	NPD52	Approved
0.7207	Intermediate Similarity	NPD7310	Approved
0.7207	Intermediate Similarity	NPD7312	Approved
0.7207	Intermediate Similarity	NPD7280	Phase 3
0.7207	Intermediate Similarity	NPD7311	Approved
0.7207	Intermediate Similarity	NPD7281	Phase 3
0.7207	Intermediate Similarity	NPD7313	Approved
0.719	Intermediate Similarity	NPD3055	Approved
0.719	Intermediate Similarity	NPD3053	Approved
0.7179	Intermediate Similarity	NPD2028	Clinical (unspecified phase)
0.7178	Intermediate Similarity	NPD5160	Discontinued
0.7176	Intermediate Similarity	NPD2560	Approved
0.7176	Intermediate Similarity	NPD2563	Approved
0.717	Intermediate Similarity	NPD6111	Discontinued
0.7169	Intermediate Similarity	NPD2122	Discontinued
0.7167	Intermediate Similarity	NPD7309	Approved
0.716	Intermediate Similarity	NPD2459	Approved
0.716	Intermediate Similarity	NPD2458	Approved
0.716	Intermediate Similarity	NPD2460	Phase 3
0.7152	Intermediate Similarity	NPD1771	Clinical (unspecified phase)
0.7152	Intermediate Similarity	NPD2874	Phase 2
0.7124	Intermediate Similarity	NPD5311	Approved
0.7124	Intermediate Similarity	NPD5310	Approved
0.7123	Intermediate Similarity	NPD5283	Phase 1
0.7117	Intermediate Similarity	NPD5754	Discontinued
0.711	Intermediate Similarity	NPD5677	Discontinued
0.7093	Intermediate Similarity	NPD4055	Discovery
0.7083	Intermediate Similarity	NPD4005	Discontinued
0.7081	Intermediate Similarity	NPD3156	Discontinued
0.7078	Intermediate Similarity	NPD4098	Discontinued
0.707	Intermediate Similarity	NPD5109	Approved
0.707	Intermediate Similarity	NPD5111	Phase 2
0.707	Intermediate Similarity	NPD5110	Phase 2
0.707	Intermediate Similarity	NPD6812	Clinical (unspecified phase)
0.7065	Intermediate Similarity	NPD5525	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD7945	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD1769	Discontinued
0.7055	Intermediate Similarity	NPD44	Approved
0.7055	Intermediate Similarity	NPD6364	Approved
0.7049	Intermediate Similarity	NPD7906	Approved
0.7025	Intermediate Similarity	NPD2674	Phase 3
0.7024	Intermediate Similarity	NPD2883	Discontinued
0.7022	Intermediate Similarity	NPD42	Phase 2
0.7022	Intermediate Similarity	NPD6042	Phase 2
0.7021	Intermediate Similarity	NPD5071	Phase 2
0.702	Intermediate Similarity	NPD2668	Approved
0.702	Intermediate Similarity	NPD2667	Approved
0.7019	Intermediate Similarity	NPD2155	Approved
0.7019	Intermediate Similarity	NPD2156	Approved
0.7019	Intermediate Similarity	NPD6380	Phase 1
0.7019	Intermediate Similarity	NPD2154	Approved
0.7017	Intermediate Similarity	NPD2971	Approved
0.7017	Intermediate Similarity	NPD2968	Approved
0.7017	Intermediate Similarity	NPD3534	Clinical (unspecified phase)
0.7011	Intermediate Similarity	NPD6037	Discontinued
0.7006	Intermediate Similarity	NPD6090	Discontinued
0.7006	Intermediate Similarity	NPD5261	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD6873	Phase 2
0.7	Intermediate Similarity	NPD4579	Clinical (unspecified phase)
0.6994	Remote Similarity	NPD4257	Approved
0.6994	Remote Similarity	NPD1372	Clinical (unspecified phase)
0.6994	Remote Similarity	NPD4256	Phase 2
0.6983	Remote Similarity	NPD3920	Phase 2
0.6982	Remote Similarity	NPD6357	Discontinued
0.6966	Remote Similarity	NPD4498	Clinical (unspecified phase)
0.6962	Remote Similarity	NPD3145	Approved
0.6962	Remote Similarity	NPD3144	Approved
0.6959	Remote Similarity	NPD593	Approved
0.6959	Remote Similarity	NPD595	Approved
0.6959	Remote Similarity	NPD5722	Discontinued
0.6957	Remote Similarity	NPD3349	Phase 2
0.6951	Remote Similarity	NPD4236	Phase 3
0.6951	Remote Similarity	NPD4237	Approved
0.6948	Remote Similarity	NPD1421	Approved
0.6948	Remote Similarity	NPD1420	Approved
0.6947	Remote Similarity	NPD5457	Discontinued
0.6946	Remote Similarity	NPD4123	Phase 3
0.6944	Remote Similarity	NPD6996	Clinical (unspecified phase)
0.6941	Remote Similarity	NPD4179	Approved
0.6941	Remote Similarity	NPD4180	Approved
0.6941	Remote Similarity	NPD1337	Clinical (unspecified phase)
0.6935	Remote Similarity	NPD3921	Approved
0.6935	Remote Similarity	NPD3924	Approved

Bioactivity similarity: Similar Natural Products in NPASS

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