NPASS Compound

Structure

CID147654 OpenBabel06191715522D 23 24 0 0 0 0 0 0 0 0999 V2000 -6.0622 -4.5000 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 -5.1962 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9282 -5.0000 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 -1.7321 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -3.0000 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 -0.8660 -0.5000 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 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7942 -4.5000 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 -7.7942 -3.5000 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 -3.4641 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6603 -5.0000 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 -8.6603 -3.0000 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 -3.4641 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 11 1 0 0 0 0 2 5 2 0 0 0 0 2 12 1 0 0 0 0 3 6 2 0 0 0 0 3 11 1 0 0 0 0 4 13 1 0 0 0 0 5 14 1 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 23 1 0 0 0 0 9 11 2 0 0 0 0 9 15 1 0 0 0 0 10 12 2 0 0 0 0 10 16 1 0 0 0 0 13 15 2 0 0 0 0 13 18 1 0 0 0 0 14 16 2 0 0 0 0 14 19 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 0 0 0 0 17 22 2 0 0 0 0 17 23 1 0 0 0 0 M END $$$$

Physi-Chem Properties

Molecular Weight:	316.09
Volume:	317.125
LogP:	2.709
LogD:	2.982
LogS:	-2.632
# Rotatable Bonds:	6
TPSA:	107.22
# H-Bond Aceptor:	6
# H-Bond Donor:	4
# Rings:	2
# Heavy Atoms:	6

MedChem Properties

QED Drug-Likeness Score:	0.383
Synthetic Accessibility Score:	2.285
Fsp3:	0.118
Lipinski Rule-of-5:	Accepted
Pfizer Rule:	Accepted
GSK Rule:	Accepted
BMS Rule:	0
Golden Triangle Rule:	Accepted
Chelating Alert:	1
PAINS Alert:	1

ADMET Properties (ADMETlab2.0)

ADMET: Absorption

Caco-2 Permeability:	-5.019
MDCK Permeability:	1.5779332898091525e-05
Pgp-inhibitor:	0.008
Pgp-substrate:	0.004
Human Intestinal Absorption (HIA):	0.138
20% Bioavailability (F20%):	0.994
30% Bioavailability (F30%):	0.994

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):	0.018
Plasma Protein Binding (PPB):	97.68206024169922%
Volume Distribution (VD):	0.414
Pgp-substrate:	1.8195489645004272%

ADMET: Metabolism

CYP1A2-inhibitor:	0.886
CYP1A2-substrate:	0.102
CYP2C19-inhibitor:	0.632
CYP2C19-substrate:	0.051
CYP2C9-inhibitor:	0.769
CYP2C9-substrate:	0.862
CYP2D6-inhibitor:	0.643
CYP2D6-substrate:	0.762
CYP3A4-inhibitor:	0.443
CYP3A4-substrate:	0.207

ADMET: Excretion

Clearance (CL):	19.006
Half-life (T1/2):	0.938

ADMET: Toxicity

hERG Blockers:	0.045
Human Hepatotoxicity (H-HT):	0.14
Drug-inuced Liver Injury (DILI):	0.039
AMES Toxicity:	0.737
Rat Oral Acute Toxicity:	0.424
Maximum Recommended Daily Dose:	0.232
Skin Sensitization:	0.968
Carcinogencity:	0.389
Eye Corrosion:	0.006
Eye Irritation:	0.92
Respiratory Toxicity:	0.055

Download Data

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

Natural Product: NPC147654

Natural Product ID:	NPC147654
*Common Name:**	Caffeic Acid 3,4-Dihydroxyphenethyl Ester
IUPAC Name:	2-(3,4-dihydroxyphenyl)ethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Synonyms:	Caffeic Acid 3,4-Dihydroxyphenethyl Ester
Standard InCHIKey:	CCHKZGVRIOKSEE-ZZXKWVIFSA-N
Standard InCHI:	InChI=1S/C17H16O6/c18-13-4-1-11(9-15(13)20)3-6-17(22)23-8-7-12-2-5-14(19)16(21)10-12/h1-6,9-10,18-21H,7-8H2/b6-3+
SMILES:	O=C(/C=C/c1ccc(c(c1)O)O)OCCc1ccc(c(c1)O)O
Synthetic Gene Cluster:	n.a.
ChEMBL Identifier:	CHEMBL1088583
PubChem CID:	637829
Chemical Classification:**	CHEMONTID:0000000 [Organic compounds] [CHEMONTID:0000261] Phenylpropanoids and polyketides [CHEMONTID:0000476] Cinnamic acids and derivatives [CHEMONTID:0001391] Hydroxycinnamic acids and derivatives [CHEMONTID:0000059] Coumaric acids and derivatives

*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
NPO29221	Sarcandra glabra	Species	Chloranthaceae	Eukaryota	Whole plant	n.a.	n.a.	PMID[16643038]
NPO29221	Sarcandra glabra	Species	Chloranthaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[20038159]
NPO29221	Sarcandra glabra	Species	Chloranthaceae	Eukaryota	aerial part	n.a.	n.a.	PMID[25442304]
NPO29221	Sarcandra glabra	Species	Chloranthaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO29221	Sarcandra glabra	Species	Chloranthaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO395	Teucrium pilosum	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO29221	Sarcandra glabra	Species	Chloranthaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO395	Teucrium pilosum	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO29221	Sarcandra glabra	Species	Chloranthaceae	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
EC50	2
GI50	114
Others	517

Activity Type	# Activity
Cell Line	605
Individual Protein	1
NON-MOLECULAR	22
Others	5

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT396	Cell Line	T47D	Homo sapiens	Activity	=	71.0	%	PMID[489815]
NPT400	Cell Line	MDA-MB-435	Homo sapiens	TGI	<	50118.72	nM	PMID[489815]
NPT457	Cell Line	BT-549	Homo sapiens	TGI	<	50118.72	nM	PMID[489815]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	TGI	<	50118.72	nM	PMID[489815]
NPT378	Cell Line	NCI/ADR-RES	Homo sapiens	TGI	=	44668.36	nM	PMID[489815]
NPT83	Cell Line	MCF7	Homo sapiens	TGI	<	50118.72	nM	PMID[489815]
NPT90	Cell Line	DU-145	Homo sapiens	TGI	=	30199.52	nM	PMID[489815]
NPT371	Cell Line	UO-31	Homo sapiens	TGI	=	20892.96	nM	PMID[489815]
NPT368	Cell Line	SN12C	Homo sapiens	TGI	<	50118.72	nM	PMID[489815]
NPT384	Cell Line	TK-10	Homo sapiens	TGI	<	50118.72	nM	PMID[489815]
NPT308	Cell Line	CAKI-1	Homo sapiens	TGI	<	50118.72	nM	PMID[489815]
NPT406	Cell Line	RXF 393	Homo sapiens	TGI	<	50118.72	nM	PMID[489815]
NPT369	Cell Line	ACHN	Homo sapiens	TGI	=	38904.51	nM	PMID[489815]
NPT170	Cell Line	SK-MEL-28	Homo sapiens	TGI	<	50118.72	nM	PMID[489815]
NPT147	Cell Line	SK-MEL-2	Homo sapiens	TGI	=	23442.29	nM	PMID[489815]
NPT375	Cell Line	Malme-3M	Homo sapiens	TGI	<	50118.72	nM	PMID[489815]
NPT390	Cell Line	LOX IMVI	Homo sapiens	TGI	=	35481.34	nM	PMID[489815]
NPT380	Cell Line	U-251	Homo sapiens	TGI	<	50118.72	nM	PMID[489815]
NPT392	Cell Line	SNB-75	Homo sapiens	TGI	<	50118.72	nM	PMID[489815]
NPT383	Cell Line	SNB-19	Homo sapiens	TGI	<	50118.72	nM	PMID[489815]
NPT374	Cell Line	SF-539	Homo sapiens	TGI	=	23988.33	nM	PMID[489815]
NPT399	Cell Line	SF-295	Homo sapiens	TGI	<	50118.72	nM	PMID[489815]
NPT395	Cell Line	SF-268	Homo sapiens	TGI	<	50118.72	nM	PMID[489815]
NPT323	Cell Line	SW-620	Homo sapiens	TGI	<	50118.72	nM	PMID[489815]
NPT386	Cell Line	KM12	Homo sapiens	TGI	<	50118.72	nM	PMID[489815]
NPT139	Cell Line	HT-29	Homo sapiens	TGI	<	50118.72	nM	PMID[489815]
NPT148	Cell Line	HCT-15	Homo sapiens	TGI	<	50118.72	nM	PMID[489815]
NPT393	Cell Line	HCT-116	Homo sapiens	TGI	<	50118.72	nM	PMID[489815]
NPT391	Cell Line	HCC 2998	Homo sapiens	TGI	<	50118.72	nM	PMID[489815]
NPT407	Cell Line	COLO 205	Homo sapiens	TGI	<	50118.72	nM	PMID[489815]
NPT455	Cell Line	NCI-H522	Homo sapiens	TGI	=	8912.51	nM	PMID[489815]
NPT397	Cell Line	NCI-H460	Homo sapiens	TGI	<	50118.72	nM	PMID[489815]
NPT388	Cell Line	NCI-H322M	Homo sapiens	TGI	<	50118.72	nM	PMID[489815]
NPT370	Cell Line	NCI-H23	Homo sapiens	TGI	<	50118.72	nM	PMID[489815]
NPT405	Cell Line	NCI-H226	Homo sapiens	TGI	<	50118.72	nM	PMID[489815]
NPT372	Cell Line	HOP-92	Homo sapiens	TGI	=	16982.44	nM	PMID[489815]
NPT379	Cell Line	HOP-62	Homo sapiens	TGI	<	50118.72	nM	PMID[489815]
NPT394	Cell Line	EKVX	Homo sapiens	TGI	<	50118.72	nM	PMID[489815]
NPT81	Cell Line	A549	Homo sapiens	TGI	<	50118.72	nM	PMID[489815]
NPT385	Cell Line	SR	Homo sapiens	TGI	=	12589.25	nM	PMID[489815]
NPT112	Cell Line	MOLT-4	Homo sapiens	TGI	<	50118.72	nM	PMID[489815]
NPT111	Cell Line	K562	Homo sapiens	TGI	=	19952.62	nM	PMID[489815]
NPT116	Cell Line	HL-60	Homo sapiens	TGI	=	17782.79	nM	PMID[489815]
NPT404	Cell Line	CCRF-CEM	Homo sapiens	TGI	=	5370.32	nM	PMID[489815]
NPT396	Cell Line	T47D	Homo sapiens	GI50	=	11220.18	nM	PMID[489815]
NPT457	Cell Line	BT-549	Homo sapiens	GI50	=	8317.64	nM	PMID[489815]
NPT400	Cell Line	MDA-MB-435	Homo sapiens	GI50	=	3981.07	nM	PMID[489815]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	GI50	=	10471.29	nM	PMID[489815]
NPT378	Cell Line	NCI/ADR-RES	Homo sapiens	GI50	=	10471.29	nM	PMID[489815]
NPT83	Cell Line	MCF7	Homo sapiens	GI50	=	3890.45	nM	PMID[489815]
NPT90	Cell Line	DU-145	Homo sapiens	GI50	=	9772.37	nM	PMID[489815]
NPT371	Cell Line	UO-31	Homo sapiens	GI50	=	1659.59	nM	PMID[489815]
NPT384	Cell Line	TK-10	Homo sapiens	GI50	=	28183.83	nM	PMID[489815]
NPT368	Cell Line	SN12C	Homo sapiens	GI50	=	9120.11	nM	PMID[489815]
NPT406	Cell Line	RXF 393	Homo sapiens	GI50	=	15488.17	nM	PMID[489815]
NPT308	Cell Line	CAKI-1	Homo sapiens	GI50	=	10471.29	nM	PMID[489815]
NPT369	Cell Line	ACHN	Homo sapiens	GI50	=	2951.21	nM	PMID[489815]
NPT376	Cell Line	A498	Homo sapiens	GI50	=	8128.31	nM	PMID[489815]
NPT401	Cell Line	786-0	Homo sapiens	GI50	=	13489.63	nM	PMID[489815]
NPT146	Cell Line	SK-OV-3	Homo sapiens	GI50	=	13182.57	nM	PMID[489815]
NPT381	Cell Line	OVCAR-8	Homo sapiens	GI50	=	9332.54	nM	PMID[489815]
NPT456	Cell Line	OVCAR-4	Homo sapiens	GI50	=	741.31	nM	PMID[489815]
NPT377	Cell Line	OVCAR-3	Homo sapiens	GI50	=	5128.61	nM	PMID[489815]
NPT458	Cell Line	IGROV-1	Homo sapiens	GI50	=	2884.03	nM	PMID[489815]
NPT398	Cell Line	UACC-62	Homo sapiens	GI50	=	5370.32	nM	PMID[489815]
NPT403	Cell Line	UACC-257	Homo sapiens	GI50	=	15488.17	nM	PMID[489815]
NPT373	Cell Line	SK-MEL-5	Homo sapiens	GI50	=	8128.31	nM	PMID[489815]
NPT170	Cell Line	SK-MEL-28	Homo sapiens	GI50	=	6456.54	nM	PMID[489815]
NPT147	Cell Line	SK-MEL-2	Homo sapiens	GI50	=	3019.95	nM	PMID[489815]
NPT375	Cell Line	Malme-3M	Homo sapiens	GI50	=	18620.87	nM	PMID[489815]
NPT390	Cell Line	LOX IMVI	Homo sapiens	GI50	=	6309.57	nM	PMID[489815]
NPT380	Cell Line	U-251	Homo sapiens	GI50	=	8709.64	nM	PMID[489815]
NPT392	Cell Line	SNB-75	Homo sapiens	GI50	=	9549.93	nM	PMID[489815]
NPT383	Cell Line	SNB-19	Homo sapiens	GI50	=	15488.17	nM	PMID[489815]
NPT374	Cell Line	SF-539	Homo sapiens	GI50	=	5888.44	nM	PMID[489815]
NPT399	Cell Line	SF-295	Homo sapiens	GI50	=	16218.1	nM	PMID[489815]
NPT395	Cell Line	SF-268	Homo sapiens	GI50	=	6606.93	nM	PMID[489815]
NPT323	Cell Line	SW-620	Homo sapiens	GI50	=	10232.93	nM	PMID[489815]
NPT386	Cell Line	KM12	Homo sapiens	GI50	=	7943.28	nM	PMID[489815]
NPT139	Cell Line	HT-29	Homo sapiens	GI50	=	28183.83	nM	PMID[489815]
NPT148	Cell Line	HCT-15	Homo sapiens	GI50	=	1412.54	nM	PMID[489815]
NPT393	Cell Line	HCT-116	Homo sapiens	GI50	=	11220.18	nM	PMID[489815]
NPT391	Cell Line	HCC 2998	Homo sapiens	GI50	=	14454.4	nM	PMID[489815]
NPT407	Cell Line	COLO 205	Homo sapiens	GI50	=	18620.87	nM	PMID[489815]
NPT455	Cell Line	NCI-H522	Homo sapiens	GI50	=	1258.93	nM	PMID[489815]
NPT397	Cell Line	NCI-H460	Homo sapiens	GI50	=	93325.43	nM	PMID[489815]
NPT388	Cell Line	NCI-H322M	Homo sapiens	GI50	=	28183.83	nM	PMID[489815]
NPT370	Cell Line	NCI-H23	Homo sapiens	GI50	=	11481.54	nM	PMID[489815]
NPT405	Cell Line	NCI-H226	Homo sapiens	GI50	=	13489.63	nM	PMID[489815]
NPT372	Cell Line	HOP-92	Homo sapiens	GI50	=	794.33	nM	PMID[489815]
NPT379	Cell Line	HOP-62	Homo sapiens	GI50	=	28840.32	nM	PMID[489815]
NPT394	Cell Line	EKVX	Homo sapiens	GI50	=	14791.08	nM	PMID[489815]
NPT81	Cell Line	A549	Homo sapiens	GI50	=	17782.79	nM	PMID[489815]
NPT385	Cell Line	SR	Homo sapiens	GI50	=	1479.11	nM	PMID[489815]
NPT112	Cell Line	MOLT-4	Homo sapiens	GI50	=	3090.3	nM	PMID[489815]
NPT111	Cell Line	K562	Homo sapiens	GI50	=	1548.82	nM	PMID[489815]
NPT116	Cell Line	HL-60	Homo sapiens	GI50	=	2630.27	nM	PMID[489815]
NPT404	Cell Line	CCRF-CEM	Homo sapiens	GI50	=	7.413	nM	PMID[489815]
NPT382	Cell Line	OVCAR-5	Homo sapiens	Activity	=	51.0	%	PMID[489815]
NPT382	Cell Line	OVCAR-5	Homo sapiens	Activity	=	102.0	%	PMID[489815]
NPT382	Cell Line	OVCAR-5	Homo sapiens	Activity	=	97.0	%	PMID[489815]
NPT382	Cell Line	OVCAR-5	Homo sapiens	Activity	=	89.0	%	PMID[489815]
NPT382	Cell Line	OVCAR-5	Homo sapiens	Activity	=	94.0	%	PMID[489815]
NPT382	Cell Line	OVCAR-5	Homo sapiens	LC50	>	50000.0	nM	PMID[489815]
NPT382	Cell Line	OVCAR-5	Homo sapiens	TGI	>	50000.0	nM	PMID[489815]
NPT382	Cell Line	OVCAR-5	Homo sapiens	GI50	>	50000.0	nM	PMID[489815]
NPT396	Cell Line	T47D	Homo sapiens	Activity	=	12.0	%	PMID[489815]
NPT457	Cell Line	BT-549	Homo sapiens	Activity	=	17.0	%	PMID[489815]
NPT400	Cell Line	MDA-MB-435	Homo sapiens	Activity	=	17.0	%	PMID[489815]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	Activity	=	22.0	%	PMID[489815]
NPT378	Cell Line	NCI/ADR-RES	Homo sapiens	Activity	=	-4.0	%	PMID[489815]
NPT83	Cell Line	MCF7	Homo sapiens	Activity	=	5.0	%	PMID[489815]
NPT90	Cell Line	DU-145	Homo sapiens	Activity	=	-22.0	%	PMID[489815]
NPT371	Cell Line	UO-31	Homo sapiens	Activity	=	-14.0	%	PMID[489815]
NPT384	Cell Line	TK-10	Homo sapiens	Activity	=	40.0	%	PMID[489815]
NPT368	Cell Line	SN12C	Homo sapiens	Activity	=	8.0	%	PMID[489815]
NPT406	Cell Line	RXF 393	Homo sapiens	Activity	=	10.0	%	PMID[489815]
NPT308	Cell Line	CAKI-1	Homo sapiens	Activity	=	12.0	%	PMID[489815]
NPT369	Cell Line	ACHN	Homo sapiens	Activity	=	-5.0	%	PMID[489815]
NPT376	Cell Line	A498	Homo sapiens	Activity	=	-11.0	%	PMID[489815]
NPT401	Cell Line	786-0	Homo sapiens	Activity	=	9.0	%	PMID[489815]
NPT146	Cell Line	SK-OV-3	Homo sapiens	Activity	=	13.0	%	PMID[489815]
NPT381	Cell Line	OVCAR-8	Homo sapiens	Activity	=	11.0	%	PMID[489815]
NPT456	Cell Line	OVCAR-4	Homo sapiens	Activity	=	21.0	%	PMID[489815]
NPT377	Cell Line	OVCAR-3	Homo sapiens	Activity	=	18.0	%	PMID[489815]
NPT458	Cell Line	IGROV-1	Homo sapiens	Activity	=	-18.0	%	PMID[489815]
NPT398	Cell Line	UACC-62	Homo sapiens	Activity	=	-7.0	%	PMID[489815]
NPT403	Cell Line	UACC-257	Homo sapiens	Activity	=	18.0	%	PMID[489815]
NPT373	Cell Line	SK-MEL-5	Homo sapiens	Activity	=	-1.0	%	PMID[489815]
NPT170	Cell Line	SK-MEL-28	Homo sapiens	Activity	=	13.0	%	PMID[489815]
NPT147	Cell Line	SK-MEL-2	Homo sapiens	Activity	=	-18.0	%	PMID[489815]
NPT375	Cell Line	Malme-3M	Homo sapiens	Activity	=	32.0	%	PMID[489815]
NPT390	Cell Line	LOX IMVI	Homo sapiens	Activity	=	-10.0	%	PMID[489815]
NPT380	Cell Line	U-251	Homo sapiens	Activity	=	5.0	%	PMID[489815]
NPT392	Cell Line	SNB-75	Homo sapiens	Activity	=	30.0	%	PMID[489815]
NPT383	Cell Line	SNB-19	Homo sapiens	Activity	=	20.0	%	PMID[489815]
NPT374	Cell Line	SF-539	Homo sapiens	Activity	=	-25.0	%	PMID[489815]
NPT399	Cell Line	SF-295	Homo sapiens	Activity	=	9.0	%	PMID[489815]
NPT395	Cell Line	SF-268	Homo sapiens	Activity	=	5.0	%	PMID[489815]
NPT323	Cell Line	SW-620	Homo sapiens	Activity	=	19.0	%	PMID[489815]
NPT386	Cell Line	KM12	Homo sapiens	Activity	=	14.0	%	PMID[489815]
NPT139	Cell Line	HT-29	Homo sapiens	Activity	=	34.0	%	PMID[489815]
NPT148	Cell Line	HCT-15	Homo sapiens	Activity	=	11.0	%	PMID[489815]
NPT393	Cell Line	HCT-116	Homo sapiens	Activity	=	23.0	%	PMID[489815]
NPT391	Cell Line	HCC 2998	Homo sapiens	Activity	=	18.0	%	PMID[489815]
NPT407	Cell Line	COLO 205	Homo sapiens	Activity	=	25.0	%	PMID[489815]
NPT455	Cell Line	NCI-H522	Homo sapiens	Activity	=	-30.0	%	PMID[489815]
NPT397	Cell Line	NCI-H460	Homo sapiens	Activity	=	1.0	%	PMID[489815]
NPT388	Cell Line	NCI-H322M	Homo sapiens	Activity	=	37.0	%	PMID[489815]
NPT370	Cell Line	NCI-H23	Homo sapiens	Activity	=	5.0	%	PMID[489815]
NPT405	Cell Line	NCI-H226	Homo sapiens	Activity	=	11.0	%	PMID[489815]
NPT372	Cell Line	HOP-92	Homo sapiens	Activity	=	-28.0	%	PMID[489815]
NPT379	Cell Line	HOP-62	Homo sapiens	Activity	=	38.0	%	PMID[489815]
NPT394	Cell Line	EKVX	Homo sapiens	Activity	=	19.0	%	PMID[489815]
NPT81	Cell Line	A549	Homo sapiens	Activity	=	12.0	%	PMID[489815]
NPT385	Cell Line	SR	Homo sapiens	Activity	=	-29.0	%	PMID[489815]
NPT112	Cell Line	MOLT-4	Homo sapiens	Activity	=	4.0	%	PMID[489815]
NPT111	Cell Line	K562	Homo sapiens	Activity	=	-8.0	%	PMID[489815]
NPT116	Cell Line	HL-60	Homo sapiens	Activity	=	-30.0	%	PMID[489815]
NPT404	Cell Line	CCRF-CEM	Homo sapiens	Activity	=	-44.0	%	PMID[489815]
NPT404	Cell Line	CCRF-CEM	Homo sapiens	GI50	=	750.0	nM	PMID[489815]
NPT116	Cell Line	HL-60	Homo sapiens	GI50	=	2540.0	nM	PMID[489815]
NPT111	Cell Line	K562	Homo sapiens	GI50	=	1560.0	nM	PMID[489815]
NPT112	Cell Line	MOLT-4	Homo sapiens	GI50	=	3060.0	nM	PMID[489815]
NPT385	Cell Line	SR	Homo sapiens	GI50	=	1490.0	nM	PMID[489815]
NPT81	Cell Line	A549	Homo sapiens	GI50	=	17700.0	nM	PMID[489815]
NPT394	Cell Line	EKVX	Homo sapiens	GI50	=	14900.0	nM	PMID[489815]
NPT379	Cell Line	HOP-62	Homo sapiens	GI50	=	29100.0	nM	PMID[489815]
NPT372	Cell Line	HOP-92	Homo sapiens	GI50	=	790.0	nM	PMID[489815]
NPT405	Cell Line	NCI-H226	Homo sapiens	GI50	=	13300.0	nM	PMID[489815]
NPT370	Cell Line	NCI-H23	Homo sapiens	GI50	=	11600.0	nM	PMID[489815]
NPT388	Cell Line	NCI-H322M	Homo sapiens	GI50	=	28100.0	nM	PMID[489815]
NPT397	Cell Line	NCI-H460	Homo sapiens	GI50	=	14800.0	nM	PMID[489815]
NPT455	Cell Line	NCI-H522	Homo sapiens	GI50	=	1260.0	nM	PMID[489815]
NPT407	Cell Line	COLO 205	Homo sapiens	GI50	=	18800.0	nM	PMID[489815]
NPT391	Cell Line	HCC 2998	Homo sapiens	GI50	=	14600.0	nM	PMID[489815]
NPT393	Cell Line	HCT-116	Homo sapiens	GI50	=	11200.0	nM	PMID[489815]
NPT148	Cell Line	HCT-15	Homo sapiens	GI50	=	2250.0	nM	PMID[489815]
NPT139	Cell Line	HT-29	Homo sapiens	GI50	=	28500.0	nM	PMID[489815]
NPT386	Cell Line	KM12	Homo sapiens	GI50	=	7920.0	nM	PMID[489815]
NPT323	Cell Line	SW-620	Homo sapiens	GI50	=	10200.0	nM	PMID[489815]
NPT395	Cell Line	SF-268	Homo sapiens	GI50	=	6930.0	nM	PMID[489815]
NPT399	Cell Line	SF-295	Homo sapiens	GI50	=	16100.0	nM	PMID[489815]
NPT374	Cell Line	SF-539	Homo sapiens	GI50	=	5830.0	nM	PMID[489815]
NPT383	Cell Line	SNB-19	Homo sapiens	GI50	=	15500.0	nM	PMID[489815]
NPT392	Cell Line	SNB-75	Homo sapiens	GI50	=	9500.0	nM	PMID[489815]
NPT380	Cell Line	U-251	Homo sapiens	GI50	=	8860.0	nM	PMID[489815]
NPT390	Cell Line	LOX IMVI	Homo sapiens	GI50	=	6380.0	nM	PMID[489815]
NPT375	Cell Line	Malme-3M	Homo sapiens	GI50	=	18600.0	nM	PMID[489815]
NPT147	Cell Line	SK-MEL-2	Homo sapiens	GI50	=	3020.0	nM	PMID[489815]
NPT170	Cell Line	SK-MEL-28	Homo sapiens	GI50	=	6510.0	nM	PMID[489815]
NPT373	Cell Line	SK-MEL-5	Homo sapiens	GI50	=	8120.0	nM	PMID[489815]
NPT403	Cell Line	UACC-257	Homo sapiens	GI50	=	15400.0	nM	PMID[489815]
NPT398	Cell Line	UACC-62	Homo sapiens	GI50	=	5330.0	nM	PMID[489815]
NPT458	Cell Line	IGROV-1	Homo sapiens	GI50	=	2860.0	nM	PMID[489815]
NPT377	Cell Line	OVCAR-3	Homo sapiens	GI50	=	5170.0	nM	PMID[489815]
NPT456	Cell Line	OVCAR-4	Homo sapiens	GI50	=	7370.0	nM	PMID[489815]
NPT381	Cell Line	OVCAR-8	Homo sapiens	GI50	=	9320.0	nM	PMID[489815]
NPT146	Cell Line	SK-OV-3	Homo sapiens	GI50	=	13700.0	nM	PMID[489815]
NPT401	Cell Line	786-0	Homo sapiens	GI50	=	13500.0	nM	PMID[489815]
NPT376	Cell Line	A498	Homo sapiens	GI50	=	8050.0	nM	PMID[489815]
NPT369	Cell Line	ACHN	Homo sapiens	GI50	=	2940.0	nM	PMID[489815]
NPT308	Cell Line	CAKI-1	Homo sapiens	GI50	=	10600.0	nM	PMID[489815]
NPT406	Cell Line	RXF 393	Homo sapiens	GI50	=	15500.0	nM	PMID[489815]
NPT368	Cell Line	SN12C	Homo sapiens	GI50	=	9090.0	nM	PMID[489815]
NPT384	Cell Line	TK-10	Homo sapiens	GI50	=	28100.0	nM	PMID[489815]
NPT371	Cell Line	UO-31	Homo sapiens	GI50	=	1750.0	nM	PMID[489815]
NPT90	Cell Line	DU-145	Homo sapiens	GI50	=	9750.0	nM	PMID[489815]
NPT83	Cell Line	MCF7	Homo sapiens	GI50	=	3860.0	nM	PMID[489815]
NPT378	Cell Line	NCI/ADR-RES	Homo sapiens	GI50	=	10900.0	nM	PMID[489815]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	GI50	=	11100.0	nM	PMID[489815]
NPT400	Cell Line	MDA-MB-435	Homo sapiens	GI50	=	4010.0	nM	PMID[489815]
NPT457	Cell Line	BT-549	Homo sapiens	GI50	=	8670.0	nM	PMID[489815]
NPT396	Cell Line	T47D	Homo sapiens	GI50	=	11300.0	nM	PMID[489815]
NPT404	Cell Line	CCRF-CEM	Homo sapiens	TGI	=	5330.0	nM	PMID[489815]
NPT116	Cell Line	HL-60	Homo sapiens	TGI	=	17700.0	nM	PMID[489815]
NPT111	Cell Line	K562	Homo sapiens	TGI	=	19900.0	nM	PMID[489815]
NPT112	Cell Line	MOLT-4	Homo sapiens	TGI	>	50000.0	nM	PMID[489815]
NPT81	Cell Line	A549	Homo sapiens	TGI	>	50000.0	nM	PMID[489815]
NPT385	Cell Line	SR	Homo sapiens	TGI	=	12700.0	nM	PMID[489815]
NPT394	Cell Line	EKVX	Homo sapiens	TGI	>	50000.0	nM	PMID[489815]
NPT372	Cell Line	HOP-92	Homo sapiens	TGI	=	16800.0	nM	PMID[489815]
NPT379	Cell Line	HOP-62	Homo sapiens	TGI	>	50000.0	nM	PMID[489815]
NPT405	Cell Line	NCI-H226	Homo sapiens	TGI	>	50000.0	nM	PMID[489815]
NPT370	Cell Line	NCI-H23	Homo sapiens	TGI	>	50000.0	nM	PMID[489815]
NPT388	Cell Line	NCI-H322M	Homo sapiens	TGI	>	50000.0	nM	PMID[489815]
NPT397	Cell Line	NCI-H460	Homo sapiens	TGI	>	50000.0	nM	PMID[489815]
NPT455	Cell Line	NCI-H522	Homo sapiens	TGI	=	8610.0	nM	PMID[489815]
NPT391	Cell Line	HCC 2998	Homo sapiens	TGI	>	50000.0	nM	PMID[489815]
NPT407	Cell Line	COLO 205	Homo sapiens	TGI	>	50000.0	nM	PMID[489815]
NPT393	Cell Line	HCT-116	Homo sapiens	TGI	>	50000.0	nM	PMID[489815]
NPT148	Cell Line	HCT-15	Homo sapiens	TGI	>	50000.0	nM	PMID[489815]
NPT139	Cell Line	HT-29	Homo sapiens	TGI	>	50000.0	nM	PMID[489815]
NPT386	Cell Line	KM12	Homo sapiens	TGI	>	50000.0	nM	PMID[489815]
NPT323	Cell Line	SW-620	Homo sapiens	TGI	>	50000.0	nM	PMID[489815]
NPT399	Cell Line	SF-295	Homo sapiens	TGI	>	50000.0	nM	PMID[489815]
NPT395	Cell Line	SF-268	Homo sapiens	TGI	>	50000.0	nM	PMID[489815]
NPT383	Cell Line	SNB-19	Homo sapiens	TGI	>	50000.0	nM	PMID[489815]
NPT374	Cell Line	SF-539	Homo sapiens	TGI	=	24200.0	nM	PMID[489815]
NPT380	Cell Line	U-251	Homo sapiens	TGI	>	50000.0	nM	PMID[489815]
NPT392	Cell Line	SNB-75	Homo sapiens	TGI	>	50000.0	nM	PMID[489815]
NPT375	Cell Line	Malme-3M	Homo sapiens	TGI	>	50000.0	nM	PMID[489815]
NPT390	Cell Line	LOX IMVI	Homo sapiens	TGI	=	35100.0	nM	PMID[489815]
NPT147	Cell Line	SK-MEL-2	Homo sapiens	TGI	=	23700.0	nM	PMID[489815]
NPT170	Cell Line	SK-MEL-28	Homo sapiens	TGI	>	50000.0	nM	PMID[489815]
NPT373	Cell Line	SK-MEL-5	Homo sapiens	TGI	=	47700.0	nM	PMID[489815]
NPT403	Cell Line	UACC-257	Homo sapiens	TGI	>	50000.0	nM	PMID[489815]
NPT398	Cell Line	UACC-62	Homo sapiens	TGI	=	38300.0	nM	PMID[489815]
NPT458	Cell Line	IGROV-1	Homo sapiens	TGI	=	24400.0	nM	PMID[489815]
NPT377	Cell Line	OVCAR-3	Homo sapiens	TGI	>	50000.0	nM	PMID[489815]
NPT456	Cell Line	OVCAR-4	Homo sapiens	TGI	>	50000.0	nM	PMID[489815]
NPT381	Cell Line	OVCAR-8	Homo sapiens	TGI	>	50000.0	nM	PMID[489815]
NPT146	Cell Line	SK-OV-3	Homo sapiens	TGI	>	50000.0	nM	PMID[489815]
NPT401	Cell Line	786-0	Homo sapiens	TGI	>	50000.0	nM	PMID[489815]
NPT376	Cell Line	A498	Homo sapiens	TGI	=	36100.0	nM	PMID[489815]
NPT369	Cell Line	ACHN	Homo sapiens	TGI	=	38700.0	nM	PMID[489815]
NPT308	Cell Line	CAKI-1	Homo sapiens	TGI	>	50000.0	nM	PMID[489815]
NPT406	Cell Line	RXF 393	Homo sapiens	TGI	>	50000.0	nM	PMID[489815]
NPT368	Cell Line	SN12C	Homo sapiens	TGI	>	50000.0	nM	PMID[489815]
NPT384	Cell Line	TK-10	Homo sapiens	TGI	>	50000.0	nM	PMID[489815]
NPT371	Cell Line	UO-31	Homo sapiens	TGI	=	21100.0	nM	PMID[489815]
NPT90	Cell Line	DU-145	Homo sapiens	TGI	=	3020.0	nM	PMID[489815]
NPT83	Cell Line	MCF7	Homo sapiens	TGI	>	50000.0	nM	PMID[489815]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	TGI	>	50000.0	nM	PMID[489815]
NPT378	Cell Line	NCI/ADR-RES	Homo sapiens	TGI	=	44900.0	nM	PMID[489815]
NPT400	Cell Line	MDA-MB-435	Homo sapiens	TGI	>	50000.0	nM	PMID[489815]
NPT457	Cell Line	BT-549	Homo sapiens	TGI	>	50000.0	nM	PMID[489815]
NPT404	Cell Line	CCRF-CEM	Homo sapiens	LC50	>	50000.0	nM	PMID[489815]
NPT396	Cell Line	T47D	Homo sapiens	TGI	>	50000.0	nM	PMID[489815]
NPT116	Cell Line	HL-60	Homo sapiens	LC50	>	50000.0	nM	PMID[489815]
NPT112	Cell Line	MOLT-4	Homo sapiens	LC50	>	50000.0	nM	PMID[489815]
NPT111	Cell Line	K562	Homo sapiens	LC50	>	50000.0	nM	PMID[489815]
NPT81	Cell Line	A549	Homo sapiens	LC50	>	50000.0	nM	PMID[489815]
NPT385	Cell Line	SR	Homo sapiens	LC50	>	50000.0	nM	PMID[489815]
NPT394	Cell Line	EKVX	Homo sapiens	LC50	>	50000.0	nM	PMID[489815]
NPT372	Cell Line	HOP-92	Homo sapiens	LC50	>	50000.0	nM	PMID[489815]
NPT379	Cell Line	HOP-62	Homo sapiens	LC50	>	50000.0	nM	PMID[489815]
NPT405	Cell Line	NCI-H226	Homo sapiens	LC50	>	50000.0	nM	PMID[489815]
NPT388	Cell Line	NCI-H322M	Homo sapiens	LC50	>	50000.0	nM	PMID[489815]
NPT370	Cell Line	NCI-H23	Homo sapiens	LC50	>	50000.0	nM	PMID[489815]
NPT397	Cell Line	NCI-H460	Homo sapiens	LC50	>	50000.0	nM	PMID[489815]
NPT407	Cell Line	COLO 205	Homo sapiens	LC50	>	50000.0	nM	PMID[489815]
NPT455	Cell Line	NCI-H522	Homo sapiens	LC50	>	50000.0	nM	PMID[489815]
NPT391	Cell Line	HCC 2998	Homo sapiens	LC50	>	50000.0	nM	PMID[489815]
NPT148	Cell Line	HCT-15	Homo sapiens	LC50	>	50000.0	nM	PMID[489815]
NPT393	Cell Line	HCT-116	Homo sapiens	LC50	>	50000.0	nM	PMID[489815]
NPT139	Cell Line	HT-29	Homo sapiens	LC50	>	50000.0	nM	PMID[489815]
NPT323	Cell Line	SW-620	Homo sapiens	LC50	>	50000.0	nM	PMID[489815]
NPT386	Cell Line	KM12	Homo sapiens	LC50	>	50000.0	nM	PMID[489815]
NPT395	Cell Line	SF-268	Homo sapiens	LC50	>	50000.0	nM	PMID[489815]
NPT374	Cell Line	SF-539	Homo sapiens	LC50	>	50000.0	nM	PMID[489815]
NPT399	Cell Line	SF-295	Homo sapiens	LC50	>	50000.0	nM	PMID[489815]
NPT383	Cell Line	SNB-19	Homo sapiens	LC50	>	50000.0	nM	PMID[489815]
NPT380	Cell Line	U-251	Homo sapiens	LC50	>	50000.0	nM	PMID[489815]
NPT392	Cell Line	SNB-75	Homo sapiens	LC50	>	50000.0	nM	PMID[489815]
NPT390	Cell Line	LOX IMVI	Homo sapiens	LC50	>	50000.0	nM	PMID[489815]
NPT147	Cell Line	SK-MEL-2	Homo sapiens	LC50	>	50000.0	nM	PMID[489815]
NPT375	Cell Line	Malme-3M	Homo sapiens	LC50	>	50000.0	nM	PMID[489815]
NPT170	Cell Line	SK-MEL-28	Homo sapiens	LC50	>	50000.0	nM	PMID[489815]
NPT403	Cell Line	UACC-257	Homo sapiens	LC50	>	50000.0	nM	PMID[489815]
NPT373	Cell Line	SK-MEL-5	Homo sapiens	LC50	>	50000.0	nM	PMID[489815]
NPT398	Cell Line	UACC-62	Homo sapiens	LC50	>	50000.0	nM	PMID[489815]
NPT458	Cell Line	IGROV-1	Homo sapiens	LC50	>	50000.0	nM	PMID[489815]
NPT456	Cell Line	OVCAR-4	Homo sapiens	LC50	>	50000.0	nM	PMID[489815]
NPT377	Cell Line	OVCAR-3	Homo sapiens	LC50	>	50000.0	nM	PMID[489815]
NPT381	Cell Line	OVCAR-8	Homo sapiens	LC50	>	50000.0	nM	PMID[489815]
NPT401	Cell Line	786-0	Homo sapiens	LC50	>	50000.0	nM	PMID[489815]
NPT146	Cell Line	SK-OV-3	Homo sapiens	LC50	>	50000.0	nM	PMID[489815]
NPT376	Cell Line	A498	Homo sapiens	LC50	>	50000.0	nM	PMID[489815]
NPT308	Cell Line	CAKI-1	Homo sapiens	LC50	>	50000.0	nM	PMID[489815]
NPT369	Cell Line	ACHN	Homo sapiens	LC50	>	50000.0	nM	PMID[489815]
NPT406	Cell Line	RXF 393	Homo sapiens	LC50	>	50000.0	nM	PMID[489815]
NPT384	Cell Line	TK-10	Homo sapiens	LC50	>	50000.0	nM	PMID[489815]
NPT368	Cell Line	SN12C	Homo sapiens	LC50	>	50000.0	nM	PMID[489815]
NPT90	Cell Line	DU-145	Homo sapiens	LC50	>	50000.0	nM	PMID[489815]
NPT371	Cell Line	UO-31	Homo sapiens	LC50	>	50000.0	nM	PMID[489815]
NPT83	Cell Line	MCF7	Homo sapiens	LC50	>	50000.0	nM	PMID[489815]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	LC50	>	50000.0	nM	PMID[489815]
NPT378	Cell Line	NCI/ADR-RES	Homo sapiens	LC50	>	50000.0	nM	PMID[489815]
NPT400	Cell Line	MDA-MB-435	Homo sapiens	LC50	>	50000.0	nM	PMID[489815]
NPT396	Cell Line	T47D	Homo sapiens	LC50	>	50000.0	nM	PMID[489815]
NPT457	Cell Line	BT-549	Homo sapiens	LC50	>	50000.0	nM	PMID[489815]
NPT116	Cell Line	HL-60	Homo sapiens	Activity	=	94.0	%	PMID[489815]
NPT404	Cell Line	CCRF-CEM	Homo sapiens	Activity	=	95.0	%	PMID[489815]
NPT111	Cell Line	K562	Homo sapiens	Activity	=	107.0	%	PMID[489815]
NPT112	Cell Line	MOLT-4	Homo sapiens	Activity	=	101.0	%	PMID[489815]
NPT385	Cell Line	SR	Homo sapiens	Activity	=	92.0	%	PMID[489815]
NPT81	Cell Line	A549	Homo sapiens	Activity	=	105.0	%	PMID[489815]
NPT379	Cell Line	HOP-62	Homo sapiens	Activity	=	92.0	%	PMID[489815]
NPT394	Cell Line	EKVX	Homo sapiens	Activity	=	88.0	%	PMID[489815]
NPT372	Cell Line	HOP-92	Homo sapiens	Activity	=	70.0	%	PMID[489815]
NPT405	Cell Line	NCI-H226	Homo sapiens	Activity	=	97.0	%	PMID[489815]
NPT388	Cell Line	NCI-H322M	Homo sapiens	Activity	=	90.0	%	PMID[489815]
NPT370	Cell Line	NCI-H23	Homo sapiens	Activity	=	90.0	%	PMID[489815]
NPT397	Cell Line	NCI-H460	Homo sapiens	Activity	=	95.0	%	PMID[489815]
NPT407	Cell Line	COLO 205	Homo sapiens	Activity	=	99.0	%	PMID[489815]
NPT455	Cell Line	NCI-H522	Homo sapiens	Activity	=	74.0	%	PMID[489815]
NPT391	Cell Line	HCC 2998	Homo sapiens	Activity	=	93.0	%	PMID[489815]
NPT148	Cell Line	HCT-15	Homo sapiens	Activity	=	80.0	%	PMID[489815]
NPT393	Cell Line	HCT-116	Homo sapiens	Activity	=	100.0	%	PMID[489815]
NPT139	Cell Line	HT-29	Homo sapiens	Activity	=	104.0	%	PMID[489815]
NPT323	Cell Line	SW-620	Homo sapiens	Activity	=	98.0	%	PMID[489815]
NPT386	Cell Line	KM12	Homo sapiens	Activity	=	97.0	%	PMID[489815]
NPT395	Cell Line	SF-268	Homo sapiens	Activity	=	94.0	%	PMID[489815]
NPT399	Cell Line	SF-295	Homo sapiens	Activity	=	98.0	%	PMID[489815]
NPT374	Cell Line	SF-539	Homo sapiens	Activity	=	90.0	%	PMID[489815]
NPT383	Cell Line	SNB-19	Homo sapiens	Activity	=	93.0	%	PMID[489815]
NPT392	Cell Line	SNB-75	Homo sapiens	Activity	=	81.0	%	PMID[489815]
NPT380	Cell Line	U-251	Homo sapiens	Activity	=	102.0	%	PMID[489815]
NPT390	Cell Line	LOX IMVI	Homo sapiens	Activity	=	92.0	%	PMID[489815]
NPT375	Cell Line	Malme-3M	Homo sapiens	Activity	=	91.0	%	PMID[489815]
NPT147	Cell Line	SK-MEL-2	Homo sapiens	Activity	=	86.0	%	PMID[489815]
NPT170	Cell Line	SK-MEL-28	Homo sapiens	Activity	=	97.0	%	PMID[489815]
NPT373	Cell Line	SK-MEL-5	Homo sapiens	Activity	=	97.0	%	PMID[489815]
NPT403	Cell Line	UACC-257	Homo sapiens	Activity	=	93.0	%	PMID[489815]
NPT398	Cell Line	UACC-62	Homo sapiens	Activity	=	91.0	%	PMID[489815]
NPT458	Cell Line	IGROV-1	Homo sapiens	Activity	=	112.0	%	PMID[489815]
NPT377	Cell Line	OVCAR-3	Homo sapiens	Activity	=	104.0	%	PMID[489815]
NPT456	Cell Line	OVCAR-4	Homo sapiens	Activity	=	99.0	%	PMID[489815]
NPT381	Cell Line	OVCAR-8	Homo sapiens	Activity	=	78.0	%	PMID[489815]
NPT146	Cell Line	SK-OV-3	Homo sapiens	Activity	=	99.0	%	PMID[489815]
NPT401	Cell Line	786-0	Homo sapiens	Activity	=	97.0	%	PMID[489815]
NPT376	Cell Line	A498	Homo sapiens	Activity	=	94.0	%	PMID[489815]
NPT369	Cell Line	ACHN	Homo sapiens	Activity	=	98.0	%	PMID[489815]
NPT308	Cell Line	CAKI-1	Homo sapiens	Activity	=	82.0	%	PMID[489815]
NPT406	Cell Line	RXF 393	Homo sapiens	Activity	=	88.0	%	PMID[489815]
NPT368	Cell Line	SN12C	Homo sapiens	Activity	=	74.0	%	PMID[489815]
NPT384	Cell Line	TK-10	Homo sapiens	Activity	=	92.0	%	PMID[489815]
NPT371	Cell Line	UO-31	Homo sapiens	Activity	=	98.0	%	PMID[489815]
NPT90	Cell Line	DU-145	Homo sapiens	Activity	=	102.0	%	PMID[489815]
NPT83	Cell Line	MCF7	Homo sapiens	Activity	=	94.0	%	PMID[489815]
NPT378	Cell Line	NCI/ADR-RES	Homo sapiens	Activity	=	97.0	%	PMID[489815]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	Activity	=	113.0	%	PMID[489815]
NPT400	Cell Line	MDA-MB-435	Homo sapiens	Activity	=	99.0	%	PMID[489815]
NPT457	Cell Line	BT-549	Homo sapiens	Activity	=	94.0	%	PMID[489815]
NPT396	Cell Line	T47D	Homo sapiens	Activity	=	98.0	%	PMID[489815]
NPT404	Cell Line	CCRF-CEM	Homo sapiens	Activity	=	99.0	%	PMID[489815]
NPT116	Cell Line	HL-60	Homo sapiens	Activity	=	85.0	%	PMID[489815]
NPT111	Cell Line	K562	Homo sapiens	Activity	=	95.0	%	PMID[489815]
NPT112	Cell Line	MOLT-4	Homo sapiens	Activity	=	97.0	%	PMID[489815]
NPT385	Cell Line	SR	Homo sapiens	Activity	=	81.0	%	PMID[489815]
NPT81	Cell Line	A549	Homo sapiens	Activity	=	97.0	%	PMID[489815]
NPT394	Cell Line	EKVX	Homo sapiens	Activity	=	84.0	%	PMID[489815]
NPT379	Cell Line	HOP-62	Homo sapiens	Activity	=	89.0	%	PMID[489815]
NPT372	Cell Line	HOP-92	Homo sapiens	Activity	=	60.0	%	PMID[489815]
NPT405	Cell Line	NCI-H226	Homo sapiens	Activity	=	99.0	%	PMID[489815]
NPT370	Cell Line	NCI-H23	Homo sapiens	Activity	=	95.0	%	PMID[489815]
NPT388	Cell Line	NCI-H322M	Homo sapiens	Activity	=	92.0	%	PMID[489815]
NPT397	Cell Line	NCI-H460	Homo sapiens	Activity	=	92.0	%	PMID[489815]
NPT455	Cell Line	NCI-H522	Homo sapiens	Activity	=	89.0	%	PMID[489815]
NPT407	Cell Line	COLO 205	Homo sapiens	Activity	=	94.0	%	PMID[489815]
NPT391	Cell Line	HCC 2998	Homo sapiens	Activity	=	107.0	%	PMID[489815]
NPT393	Cell Line	HCT-116	Homo sapiens	Activity	=	97.0	%	PMID[489815]
NPT148	Cell Line	HCT-15	Homo sapiens	Activity	=	88.0	%	PMID[489815]
NPT139	Cell Line	HT-29	Homo sapiens	Activity	=	103.0	%	PMID[489815]
NPT386	Cell Line	KM12	Homo sapiens	Activity	=	95.0	%	PMID[489815]
NPT323	Cell Line	SW-620	Homo sapiens	Activity	=	95.0	%	PMID[489815]
NPT395	Cell Line	SF-268	Homo sapiens	Activity	=	91.0	%	PMID[489815]
NPT399	Cell Line	SF-295	Homo sapiens	Activity	=	89.0	%	PMID[489815]
NPT374	Cell Line	SF-539	Homo sapiens	Activity	=	81.0	%	PMID[489815]
NPT383	Cell Line	SNB-19	Homo sapiens	Activity	=	95.0	%	PMID[489815]
NPT392	Cell Line	SNB-75	Homo sapiens	Activity	=	75.0	%	PMID[489815]
NPT380	Cell Line	U-251	Homo sapiens	Activity	=	97.0	%	PMID[489815]
NPT390	Cell Line	LOX IMVI	Homo sapiens	Activity	=	101.0	%	PMID[489815]
NPT375	Cell Line	Malme-3M	Homo sapiens	Activity	=	98.0	%	PMID[489815]
NPT147	Cell Line	SK-MEL-2	Homo sapiens	Activity	=	95.0	%	PMID[489815]
NPT170	Cell Line	SK-MEL-28	Homo sapiens	Activity	=	89.0	%	PMID[489815]
NPT403	Cell Line	UACC-257	Homo sapiens	Activity	=	92.0	%	PMID[489815]
NPT398	Cell Line	UACC-62	Homo sapiens	Activity	=	94.0	%	PMID[489815]
NPT458	Cell Line	IGROV-1	Homo sapiens	Activity	=	102.0	%	PMID[489815]
NPT377	Cell Line	OVCAR-3	Homo sapiens	Activity	=	99.0	%	PMID[489815]
NPT456	Cell Line	OVCAR-4	Homo sapiens	Activity	=	95.0	%	PMID[489815]
NPT381	Cell Line	OVCAR-8	Homo sapiens	Activity	=	79.0	%	PMID[489815]
NPT146	Cell Line	SK-OV-3	Homo sapiens	Activity	=	96.0	%	PMID[489815]
NPT401	Cell Line	786-0	Homo sapiens	Activity	=	98.0	%	PMID[489815]
NPT376	Cell Line	A498	Homo sapiens	Activity	=	81.0	%	PMID[489815]
NPT369	Cell Line	ACHN	Homo sapiens	Activity	=	95.0	%	PMID[489815]
NPT308	Cell Line	CAKI-1	Homo sapiens	Activity	=	83.0	%	PMID[489815]
NPT406	Cell Line	RXF 393	Homo sapiens	Activity	=	84.0	%	PMID[489815]
NPT368	Cell Line	SN12C	Homo sapiens	Activity	=	80.0	%	PMID[489815]
NPT384	Cell Line	TK-10	Homo sapiens	Activity	=	95.0	%	PMID[489815]
NPT371	Cell Line	UO-31	Homo sapiens	Activity	=	93.0	%	PMID[489815]
NPT90	Cell Line	DU-145	Homo sapiens	Activity	=	101.0	%	PMID[489815]
NPT83	Cell Line	MCF7	Homo sapiens	Activity	=	108.0	%	PMID[489815]
NPT378	Cell Line	NCI/ADR-RES	Homo sapiens	Activity	=	98.0	%	PMID[489815]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	Activity	=	108.0	%	PMID[489815]
NPT400	Cell Line	MDA-MB-435	Homo sapiens	Activity	=	92.0	%	PMID[489815]
NPT457	Cell Line	BT-549	Homo sapiens	Activity	=	100.0	%	PMID[489815]
NPT396	Cell Line	T47D	Homo sapiens	Activity	=	102.0	%	PMID[489815]
NPT404	Cell Line	CCRF-CEM	Homo sapiens	Activity	=	60.0	%	PMID[489815]
NPT116	Cell Line	HL-60	Homo sapiens	Activity	=	82.0	%	PMID[489815]
NPT111	Cell Line	K562	Homo sapiens	Activity	=	90.0	%	PMID[489815]
NPT112	Cell Line	MOLT-4	Homo sapiens	Activity	=	89.0	%	PMID[489815]
NPT385	Cell Line	SR	Homo sapiens	Activity	=	77.0	%	PMID[489815]
NPT81	Cell Line	A549	Homo sapiens	Activity	=	101.0	%	PMID[489815]
NPT379	Cell Line	HOP-62	Homo sapiens	Activity	=	97.0	%	PMID[489815]
NPT372	Cell Line	HOP-92	Homo sapiens	Activity	=	55.0	%	PMID[489815]
NPT405	Cell Line	NCI-H226	Homo sapiens	Activity	=	90.0	%	PMID[489815]
NPT370	Cell Line	NCI-H23	Homo sapiens	Activity	=	89.0	%	PMID[489815]
NPT388	Cell Line	NCI-H322M	Homo sapiens	Activity	=	97.0	%	PMID[489815]
NPT397	Cell Line	NCI-H460	Homo sapiens	Activity	=	100.0	%	PMID[489815]
NPT455	Cell Line	NCI-H522	Homo sapiens	Activity	=	77.0	%	PMID[489815]
NPT407	Cell Line	COLO 205	Homo sapiens	Activity	=	89.0	%	PMID[489815]
NPT391	Cell Line	HCC 2998	Homo sapiens	Activity	=	98.0	%	PMID[489815]
NPT393	Cell Line	HCT-116	Homo sapiens	Activity	=	92.0	%	PMID[489815]
NPT148	Cell Line	HCT-15	Homo sapiens	Activity	=	78.0	%	PMID[489815]
NPT139	Cell Line	HT-29	Homo sapiens	Activity	=	98.0	%	PMID[489815]
NPT386	Cell Line	KM12	Homo sapiens	Activity	=	81.0	%	PMID[489815]
NPT395	Cell Line	SF-268	Homo sapiens	Activity	=	85.0	%	PMID[489815]
NPT399	Cell Line	SF-295	Homo sapiens	Activity	=	87.0	%	PMID[489815]
NPT374	Cell Line	SF-539	Homo sapiens	Activity	=	89.0	%	PMID[489815]
NPT383	Cell Line	SNB-19	Homo sapiens	Activity	=	94.0	%	PMID[489815]
NPT392	Cell Line	SNB-75	Homo sapiens	Activity	=	72.0	%	PMID[489815]
NPT380	Cell Line	U-251	Homo sapiens	Activity	=	98.0	%	PMID[489815]
NPT390	Cell Line	LOX IMVI	Homo sapiens	Activity	=	98.0	%	PMID[489815]
NPT375	Cell Line	Malme-3M	Homo sapiens	Activity	=	102.0	%	PMID[489815]
NPT147	Cell Line	SK-MEL-2	Homo sapiens	Activity	=	91.0	%	PMID[489815]
NPT170	Cell Line	SK-MEL-28	Homo sapiens	Activity	=	93.0	%	PMID[489815]
NPT373	Cell Line	SK-MEL-5	Homo sapiens	Activity	=	102.0	%	PMID[489815]
NPT398	Cell Line	UACC-62	Homo sapiens	Activity	=	84.0	%	PMID[489815]
NPT458	Cell Line	IGROV-1	Homo sapiens	Activity	=	98.0	%	PMID[489815]
NPT377	Cell Line	OVCAR-3	Homo sapiens	Activity	=	90.0	%	PMID[489815]
NPT456	Cell Line	OVCAR-4	Homo sapiens	Activity	=	92.0	%	PMID[489815]
NPT146	Cell Line	SK-OV-3	Homo sapiens	Activity	=	88.0	%	PMID[489815]
NPT401	Cell Line	786-0	Homo sapiens	Activity	=	94.0	%	PMID[489815]
NPT376	Cell Line	A498	Homo sapiens	Activity	=	95.0	%	PMID[489815]
NPT369	Cell Line	ACHN	Homo sapiens	Activity	=	89.0	%	PMID[489815]
NPT308	Cell Line	CAKI-1	Homo sapiens	Activity	=	88.0	%	PMID[489815]
NPT406	Cell Line	RXF 393	Homo sapiens	Activity	=	135.0	%	PMID[489815]
NPT368	Cell Line	SN12C	Homo sapiens	Activity	=	81.0	%	PMID[489815]
NPT384	Cell Line	TK-10	Homo sapiens	Activity	=	94.0	%	PMID[489815]
NPT371	Cell Line	UO-31	Homo sapiens	Activity	=	82.0	%	PMID[489815]
NPT90	Cell Line	DU-145	Homo sapiens	Activity	=	100.0	%	PMID[489815]
NPT83	Cell Line	MCF7	Homo sapiens	Activity	=	92.0	%	PMID[489815]
NPT378	Cell Line	NCI/ADR-RES	Homo sapiens	Activity	=	99.0	%	PMID[489815]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	Activity	=	97.0	%	PMID[489815]
NPT400	Cell Line	MDA-MB-435	Homo sapiens	Activity	=	89.0	%	PMID[489815]
NPT457	Cell Line	BT-549	Homo sapiens	Activity	=	97.0	%	PMID[489815]
NPT396	Cell Line	T47D	Homo sapiens	Activity	=	93.0	%	PMID[489815]
NPT404	Cell Line	CCRF-CEM	Homo sapiens	Activity	=	1.0	%	PMID[489815]
NPT116	Cell Line	HL-60	Homo sapiens	Activity	=	37.0	%	PMID[489815]
NPT111	Cell Line	K562	Homo sapiens	Activity	=	9.0	%	PMID[489815]
NPT112	Cell Line	MOLT-4	Homo sapiens	Activity	=	39.0	%	PMID[489815]
NPT385	Cell Line	SR	Homo sapiens	Activity	=	20.0	%	PMID[489815]
NPT81	Cell Line	A549	Homo sapiens	Activity	=	96.0	%	PMID[489815]
NPT394	Cell Line	EKVX	Homo sapiens	Activity	=	78.0	%	PMID[489815]
NPT379	Cell Line	HOP-62	Homo sapiens	Activity	=	95.0	%	PMID[489815]
NPT372	Cell Line	HOP-92	Homo sapiens	Activity	=	29.0	%	PMID[489815]
NPT405	Cell Line	NCI-H226	Homo sapiens	Activity	=	79.0	%	PMID[489815]
NPT370	Cell Line	NCI-H23	Homo sapiens	Activity	=	78.0	%	PMID[489815]
NPT388	Cell Line	NCI-H322M	Homo sapiens	Activity	=	86.0	%	PMID[489815]
NPT397	Cell Line	NCI-H460	Homo sapiens	Activity	=	94.0	%	PMID[489815]
NPT455	Cell Line	NCI-H522	Homo sapiens	Activity	=	10.0	%	PMID[489815]
NPT407	Cell Line	COLO 205	Homo sapiens	Activity	=	84.0	%	PMID[489815]
NPT391	Cell Line	HCC 2998	Homo sapiens	Activity	=	80.0	%	PMID[489815]
NPT393	Cell Line	HCT-116	Homo sapiens	Activity	=	65.0	%	PMID[489815]
NPT148	Cell Line	HCT-15	Homo sapiens	Activity	=	38.0	%	PMID[489815]
NPT139	Cell Line	HT-29	Homo sapiens	Activity	=	99.0	%	PMID[489815]
NPT386	Cell Line	KM12	Homo sapiens	Activity	=	59.0	%	PMID[489815]
NPT323	Cell Line	SW-620	Homo sapiens	Activity	=	64.0	%	PMID[489815]
NPT395	Cell Line	SF-268	Homo sapiens	Activity	=	57.0	%	PMID[489815]
NPT399	Cell Line	SF-295	Homo sapiens	Activity	=	92.0	%	PMID[489815]
NPT374	Cell Line	SF-539	Homo sapiens	Activity	=	55.0	%	PMID[489815]
NPT383	Cell Line	SNB-19	Homo sapiens	Activity	=	79.0	%	PMID[489815]
NPT392	Cell Line	SNB-75	Homo sapiens	Activity	=	58.0	%	PMID[489815]
NPT380	Cell Line	U-251	Homo sapiens	Activity	=	65.0	%	PMID[489815]
NPT390	Cell Line	LOX IMVI	Homo sapiens	Activity	=	57.0	%	PMID[489815]
NPT375	Cell Line	Malme-3M	Homo sapiens	Activity	=	74.0	%	PMID[489815]
NPT147	Cell Line	SK-MEL-2	Homo sapiens	Activity	=	38.0	%	PMID[489815]
NPT170	Cell Line	SK-MEL-28	Homo sapiens	Activity	=	55.0	%	PMID[489815]
NPT373	Cell Line	SK-MEL-5	Homo sapiens	Activity	=	64.0	%	PMID[489815]
NPT403	Cell Line	UACC-257	Homo sapiens	Activity	=	83.0	%	PMID[489815]
NPT398	Cell Line	UACC-62	Homo sapiens	Activity	=	52.0	%	PMID[489815]
NPT458	Cell Line	IGROV-1	Homo sapiens	Activity	=	35.0	%	PMID[489815]
NPT377	Cell Line	OVCAR-3	Homo sapiens	Activity	=	50.0	%	PMID[489815]
NPT456	Cell Line	OVCAR-4	Homo sapiens	Activity	=	58.0	%	PMID[489815]
NPT381	Cell Line	OVCAR-8	Homo sapiens	Activity	=	64.0	%	PMID[489815]
NPT146	Cell Line	SK-OV-3	Homo sapiens	Activity	=	79.0	%	PMID[489815]
NPT401	Cell Line	786-0	Homo sapiens	Activity	=	81.0	%	PMID[489815]
NPT376	Cell Line	A498	Homo sapiens	Activity	=	68.0	%	PMID[489815]
NPT369	Cell Line	ACHN	Homo sapiens	Activity	=	38.0	%	PMID[489815]
NPT308	Cell Line	CAKI-1	Homo sapiens	Activity	=	68.0	%	PMID[489815]
NPT406	Cell Line	RXF 393	Homo sapiens	Activity	=	89.0	%	PMID[489815]
NPT368	Cell Line	SN12C	Homo sapiens	Activity	=	65.0	%	PMID[489815]
NPT384	Cell Line	TK-10	Homo sapiens	Activity	=	81.0	%	PMID[489815]
NPT371	Cell Line	UO-31	Homo sapiens	Activity	=	23.0	%	PMID[489815]
NPT90	Cell Line	DU-145	Homo sapiens	Activity	=	80.0	%	PMID[489815]
NPT83	Cell Line	MCF7	Homo sapiens	Activity	=	45.0	%	PMID[489815]
NPT378	Cell Line	NCI/ADR-RES	Homo sapiens	Activity	=	78.0	%	PMID[489815]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	Activity	=	85.0	%	PMID[489815]
NPT400	Cell Line	MDA-MB-435	Homo sapiens	Activity	=	48.0	%	PMID[489815]
NPT457	Cell Line	BT-549	Homo sapiens	Activity	=	60.0	%	PMID[489815]
NPT376	Cell Line	A498	Homo sapiens	TGI	=	36307.81	nM	PMID[489815]
NPT146	Cell Line	SK-OV-3	Homo sapiens	TGI	<	50118.72	nM	PMID[489815]
NPT401	Cell Line	786-0	Homo sapiens	TGI	<	50118.72	nM	PMID[489815]
NPT381	Cell Line	OVCAR-8	Homo sapiens	TGI	<	50118.72	nM	PMID[489815]
NPT456	Cell Line	OVCAR-4	Homo sapiens	TGI	<	50118.72	nM	PMID[489815]
NPT377	Cell Line	OVCAR-3	Homo sapiens	TGI	<	50118.72	nM	PMID[489815]
NPT458	Cell Line	IGROV-1	Homo sapiens	TGI	=	15488.17	nM	PMID[489815]
NPT398	Cell Line	UACC-62	Homo sapiens	TGI	=	38018.94	nM	PMID[489815]
NPT403	Cell Line	UACC-257	Homo sapiens	TGI	<	50118.72	nM	PMID[489815]
NPT373	Cell Line	SK-MEL-5	Homo sapiens	TGI	=	47863.01	nM	PMID[489815]
NPT396	Cell Line	T47D	Homo sapiens	TGI	<	50118.72	nM	PMID[489815]
NPT404	Cell Line	CCRF-CEM	Homo sapiens	LC50	<	50118.72	nM	PMID[489815]
NPT116	Cell Line	HL-60	Homo sapiens	LC50	<	50118.72	nM	PMID[489815]
NPT111	Cell Line	K562	Homo sapiens	LC50	<	50118.72	nM	PMID[489815]
NPT112	Cell Line	MOLT-4	Homo sapiens	LC50	<	50118.72	nM	PMID[489815]
NPT385	Cell Line	SR	Homo sapiens	LC50	<	50118.72	nM	PMID[489815]
NPT81	Cell Line	A549	Homo sapiens	LC50	<	50118.72	nM	PMID[489815]
NPT394	Cell Line	EKVX	Homo sapiens	LC50	<	50118.72	nM	PMID[489815]
NPT379	Cell Line	HOP-62	Homo sapiens	LC50	<	50118.72	nM	PMID[489815]
NPT372	Cell Line	HOP-92	Homo sapiens	LC50	<	50118.72	nM	PMID[489815]
NPT405	Cell Line	NCI-H226	Homo sapiens	LC50	<	50118.72	nM	PMID[489815]
NPT370	Cell Line	NCI-H23	Homo sapiens	LC50	<	50118.72	nM	PMID[489815]
NPT388	Cell Line	NCI-H322M	Homo sapiens	LC50	<	50118.72	nM	PMID[489815]
NPT397	Cell Line	NCI-H460	Homo sapiens	LC50	<	50118.72	nM	PMID[489815]
NPT455	Cell Line	NCI-H522	Homo sapiens	LC50	<	50118.72	nM	PMID[489815]
NPT407	Cell Line	COLO 205	Homo sapiens	LC50	<	50118.72	nM	PMID[489815]
NPT391	Cell Line	HCC 2998	Homo sapiens	LC50	<	50118.72	nM	PMID[489815]
NPT393	Cell Line	HCT-116	Homo sapiens	LC50	<	50118.72	nM	PMID[489815]
NPT148	Cell Line	HCT-15	Homo sapiens	LC50	<	50118.72	nM	PMID[489815]
NPT139	Cell Line	HT-29	Homo sapiens	LC50	<	50118.72	nM	PMID[489815]
NPT386	Cell Line	KM12	Homo sapiens	LC50	<	50118.72	nM	PMID[489815]
NPT323	Cell Line	SW-620	Homo sapiens	LC50	<	50118.72	nM	PMID[489815]
NPT395	Cell Line	SF-268	Homo sapiens	LC50	<	50118.72	nM	PMID[489815]
NPT399	Cell Line	SF-295	Homo sapiens	LC50	<	50118.72	nM	PMID[489815]
NPT374	Cell Line	SF-539	Homo sapiens	LC50	<	50118.72	nM	PMID[489815]
NPT383	Cell Line	SNB-19	Homo sapiens	LC50	<	50118.72	nM	PMID[489815]
NPT392	Cell Line	SNB-75	Homo sapiens	LC50	<	50118.72	nM	PMID[489815]
NPT380	Cell Line	U-251	Homo sapiens	LC50	<	50118.72	nM	PMID[489815]
NPT390	Cell Line	LOX IMVI	Homo sapiens	LC50	<	50118.72	nM	PMID[489815]
NPT375	Cell Line	Malme-3M	Homo sapiens	LC50	<	50118.72	nM	PMID[489815]
NPT147	Cell Line	SK-MEL-2	Homo sapiens	LC50	<	50118.72	nM	PMID[489815]
NPT170	Cell Line	SK-MEL-28	Homo sapiens	LC50	<	50118.72	nM	PMID[489815]
NPT373	Cell Line	SK-MEL-5	Homo sapiens	LC50	<	50118.72	nM	PMID[489815]
NPT403	Cell Line	UACC-257	Homo sapiens	LC50	<	50118.72	nM	PMID[489815]
NPT398	Cell Line	UACC-62	Homo sapiens	LC50	<	50118.72	nM	PMID[489815]
NPT458	Cell Line	IGROV-1	Homo sapiens	LC50	<	50118.72	nM	PMID[489815]
NPT377	Cell Line	OVCAR-3	Homo sapiens	LC50	<	50118.72	nM	PMID[489815]
NPT456	Cell Line	OVCAR-4	Homo sapiens	LC50	<	50118.72	nM	PMID[489815]
NPT381	Cell Line	OVCAR-8	Homo sapiens	LC50	<	50118.72	nM	PMID[489815]
NPT146	Cell Line	SK-OV-3	Homo sapiens	LC50	<	50118.72	nM	PMID[489815]
NPT401	Cell Line	786-0	Homo sapiens	LC50	<	50118.72	nM	PMID[489815]
NPT376	Cell Line	A498	Homo sapiens	LC50	<	50118.72	nM	PMID[489815]
NPT369	Cell Line	ACHN	Homo sapiens	LC50	<	50118.72	nM	PMID[489815]
NPT308	Cell Line	CAKI-1	Homo sapiens	LC50	<	50118.72	nM	PMID[489815]
NPT406	Cell Line	RXF 393	Homo sapiens	LC50	<	50118.72	nM	PMID[489815]
NPT368	Cell Line	SN12C	Homo sapiens	LC50	<	50118.72	nM	PMID[489815]
NPT384	Cell Line	TK-10	Homo sapiens	LC50	<	50118.72	nM	PMID[489815]
NPT371	Cell Line	UO-31	Homo sapiens	LC50	<	50118.72	nM	PMID[489815]
NPT90	Cell Line	DU-145	Homo sapiens	LC50	<	50118.72	nM	PMID[489815]
NPT83	Cell Line	MCF7	Homo sapiens	LC50	<	50118.72	nM	PMID[489815]
NPT378	Cell Line	NCI/ADR-RES	Homo sapiens	LC50	<	50118.72	nM	PMID[489815]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	LC50	<	50118.72	nM	PMID[489815]
NPT400	Cell Line	MDA-MB-435	Homo sapiens	LC50	<	50118.72	nM	PMID[489815]
NPT457	Cell Line	BT-549	Homo sapiens	LC50	<	50118.72	nM	PMID[489815]
NPT396	Cell Line	T47D	Homo sapiens	LC50	<	50118.72	nM	PMID[489815]
NPT382	Cell Line	OVCAR-5	Homo sapiens	GI50	<	50118.72	nM	PMID[489815]
NPT382	Cell Line	OVCAR-5	Homo sapiens	TGI	<	50118.72	nM	PMID[489815]
NPT382	Cell Line	OVCAR-5	Homo sapiens	LC50	<	50118.72	nM	PMID[489815]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	TGI	<	50118.72	nM	PMID[489815]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	TGI	=	8511.38	nM	PMID[489815]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	GI50	=	9772.37	nM	PMID[489815]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	GI50	=	630.96	nM	PMID[489815]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Activity	=	9.0	%	PMID[489815]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Activity	=	-37.0	%	PMID[489815]
NPT1	Others	Radical scavenging activity		EC50	=	4.7	ug.mL-1	PMID[489815]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	GI50	=	630.0	nM	PMID[489815]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	GI50	=	9750.0	nM	PMID[489815]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	TGI	=	8480.0	nM	PMID[489815]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	TGI	>	50000.0	nM	PMID[489815]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	LC50	>	50000.0	nM	PMID[489815]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Activity	=	86.0	%	PMID[489815]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Activity	=	83.0	%	PMID[489815]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Activity	=	70.0	%	PMID[489815]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Activity	=	80.0	%	PMID[489815]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Activity	=	54.0	%	PMID[489815]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Activity	=	11.0	%	PMID[489815]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Activity	=	67.0	%	PMID[489815]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	LC50	<	50118.72	nM	PMID[489815]
NPT78	Individual Protein	Beta amyloid A4 protein	Homo sapiens	EC50	=	20600.0	nM	PMID[489817]
NPT2	Others	Unspecified		Inhibition	=	26.0	%	PMID[489817]
NPT2	Others	Unspecified		Inhibition	=	80.0	%	PMID[489817]
NPT35	Others	n.a.		Inhibition	=	37.0	%	PMID[489817]
NPT35	Others	n.a.		Inhibition	=	46.0	%	PMID[489817]

☑ 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 NPC147654 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	277
0.1-0.2	1372
0.2-0.3	4112
0.3-0.4	10021
0.4-0.5	8385
0.5-0.6	4882
0.6-0.7	9746
0.7-0.8	3434
0.8-0.85	375
0.85-0.9	64
0.9-0.95	23
0.95-1	6

Similarity Score	Similarity Level	Natural Product ID
0.9737	High Similarity	NPC141791
0.9737	High Similarity	NPC263386
0.9569	High Similarity	NPC470849
0.9569	High Similarity	NPC470848
0.9478	High Similarity	NPC275519
0.931	High Similarity	NPC203124
0.931	High Similarity	NPC309434
0.9194	High Similarity	NPC198388
0.9167	High Similarity	NPC212541
0.916	High Similarity	NPC472271
0.9138	High Similarity	NPC281277
0.913	High Similarity	NPC328593
0.913	High Similarity	NPC33749
0.913	High Similarity	NPC261453
0.912	High Similarity	NPC61
0.912	High Similarity	NPC25581
0.912	High Similarity	NPC5419
0.912	High Similarity	NPC18074
0.9098	High Similarity	NPC213552
0.9098	High Similarity	NPC120225
0.906	High Similarity	NPC200988
0.906	High Similarity	NPC610
0.906	High Similarity	NPC175799
0.906	High Similarity	NPC145023
0.9052	High Similarity	NPC474967
0.9052	High Similarity	NPC233669
0.9048	High Similarity	NPC155209
0.9048	High Similarity	NPC168799
0.9043	High Similarity	NPC95381
0.9043	High Similarity	NPC264558
0.904	High Similarity	NPC318799
0.9016	High Similarity	NPC289459
0.8983	High Similarity	NPC86198
0.8976	High Similarity	NPC106406
0.8976	High Similarity	NPC886
0.8976	High Similarity	NPC135127
0.8976	High Similarity	NPC287597
0.8976	High Similarity	NPC34293
0.8966	High Similarity	NPC217472
0.8947	High Similarity	NPC183700
0.8934	High Similarity	NPC288945
0.8934	High Similarity	NPC246704
0.8934	High Similarity	NPC85565
0.8908	High Similarity	NPC470215
0.8908	High Similarity	NPC470214
0.8908	High Similarity	NPC109371
0.8908	High Similarity	NPC70084
0.888	High Similarity	NPC83062
0.887	High Similarity	NPC297657
0.887	High Similarity	NPC226250
0.8837	High Similarity	NPC471664
0.8837	High Similarity	NPC471665
0.8793	High Similarity	NPC131530
0.879	High Similarity	NPC118584
0.878	High Similarity	NPC60517
0.878	High Similarity	NPC146886
0.878	High Similarity	NPC20443
0.878	High Similarity	NPC469568
0.8769	High Similarity	NPC78363
0.8769	High Similarity	NPC260425
0.8769	High Similarity	NPC126206
0.8739	High Similarity	NPC65791
0.8739	High Similarity	NPC278652
0.873	High Similarity	NPC477294
0.873	High Similarity	NPC229784
0.873	High Similarity	NPC477293
0.872	High Similarity	NPC476873
0.871	High Similarity	NPC67951
0.8702	High Similarity	NPC476383
0.8702	High Similarity	NPC472350
0.8702	High Similarity	NPC68092
0.8702	High Similarity	NPC89105
0.8702	High Similarity	NPC321638
0.8702	High Similarity	NPC328273
0.8702	High Similarity	NPC321184
0.8702	High Similarity	NPC81515
0.8702	High Similarity	NPC197316
0.8702	High Similarity	NPC64141
0.8702	High Similarity	NPC171134
0.8702	High Similarity	NPC205195
0.8699	High Similarity	NPC224208
0.8699	High Similarity	NPC474275
0.8699	High Similarity	NPC285345
0.8684	High Similarity	NPC260952
0.8682	High Similarity	NPC248150
0.8651	High Similarity	NPC232880
0.8651	High Similarity	NPC110313
0.8636	High Similarity	NPC288452
0.8636	High Similarity	NPC289690
0.8636	High Similarity	NPC475530
0.8636	High Similarity	NPC473799
0.8615	High Similarity	NPC476870
0.8609	High Similarity	NPC206341
0.8607	High Similarity	NPC204466
0.8596	High Similarity	NPC1786
0.8596	High Similarity	NPC1075
0.8596	High Similarity	NPC294902
0.8594	High Similarity	NPC219677
0.8583	High Similarity	NPC94810
0.8583	High Similarity	NPC30174
0.8571	High Similarity	NPC476377
0.8571	High Similarity	NPC476385
0.8571	High Similarity	NPC134405
0.8571	High Similarity	NPC47471
0.8571	High Similarity	NPC38473
0.856	High Similarity	NPC87113
0.856	High Similarity	NPC197832
0.8548	High Similarity	NPC473451
0.8548	High Similarity	NPC306100
0.8538	High Similarity	NPC111635
0.8538	High Similarity	NPC476387
0.8538	High Similarity	NPC249791
0.8538	High Similarity	NPC119060
0.8538	High Similarity	NPC67247
0.8538	High Similarity	NPC237594
0.8537	High Similarity	NPC70752
0.8527	High Similarity	NPC473924
0.8527	High Similarity	NPC473285
0.8525	High Similarity	NPC202474
0.8516	High Similarity	NPC217052
0.8516	High Similarity	NPC237506
0.8516	High Similarity	NPC329344
0.8516	High Similarity	NPC32626
0.8516	High Similarity	NPC285361
0.8507	High Similarity	NPC140502
0.8507	High Similarity	NPC67467
0.8507	High Similarity	NPC265648
0.8507	High Similarity	NPC222433
0.8504	High Similarity	NPC109275
0.8504	High Similarity	NPC46192
0.8504	High Similarity	NPC167463
0.8504	High Similarity	NPC478215
0.85	High Similarity	NPC277394
0.85	High Similarity	NPC299252
0.85	High Similarity	NPC61062
0.8496	Intermediate Similarity	NPC179505
0.8496	Intermediate Similarity	NPC156709
0.8487	Intermediate Similarity	NPC120280
0.848	Intermediate Similarity	NPC131747
0.848	Intermediate Similarity	NPC146355
0.848	Intermediate Similarity	NPC257682
0.8475	Intermediate Similarity	NPC51698
0.8473	Intermediate Similarity	NPC214729
0.8462	Intermediate Similarity	NPC147634
0.8462	Intermediate Similarity	NPC254398
0.8462	Intermediate Similarity	NPC226401
0.8462	Intermediate Similarity	NPC36490
0.8462	Intermediate Similarity	NPC120982
0.8462	Intermediate Similarity	NPC79793
0.8462	Intermediate Similarity	NPC174096
0.8455	Intermediate Similarity	NPC14007
0.8455	Intermediate Similarity	NPC60962
0.8455	Intermediate Similarity	NPC189844
0.8455	Intermediate Similarity	NPC269843
0.8455	Intermediate Similarity	NPC470414
0.8455	Intermediate Similarity	NPC109083
0.8455	Intermediate Similarity	NPC224814
0.8444	Intermediate Similarity	NPC264632
0.8444	Intermediate Similarity	NPC247032
0.8444	Intermediate Similarity	NPC476381
0.8444	Intermediate Similarity	NPC76406
0.8444	Intermediate Similarity	NPC476375
0.8444	Intermediate Similarity	NPC96795
0.8444	Intermediate Similarity	NPC298257
0.8444	Intermediate Similarity	NPC40305
0.8444	Intermediate Similarity	NPC476397
0.8444	Intermediate Similarity	NPC112
0.8444	Intermediate Similarity	NPC269141
0.8444	Intermediate Similarity	NPC476378
0.8444	Intermediate Similarity	NPC205864
0.8444	Intermediate Similarity	NPC175214
0.8444	Intermediate Similarity	NPC105005
0.8444	Intermediate Similarity	NPC119537
0.8444	Intermediate Similarity	NPC476380
0.8444	Intermediate Similarity	NPC476384
0.8443	Intermediate Similarity	NPC241634
0.8438	Intermediate Similarity	NPC226855
0.8438	Intermediate Similarity	NPC208536
0.8438	Intermediate Similarity	NPC64111
0.8438	Intermediate Similarity	NPC48315
0.8438	Intermediate Similarity	NPC241354
0.8433	Intermediate Similarity	NPC186406
0.8433	Intermediate Similarity	NPC9218
0.843	Intermediate Similarity	NPC122117
0.8425	Intermediate Similarity	NPC288416
0.8421	Intermediate Similarity	NPC37250
0.8421	Intermediate Similarity	NPC278068
0.8421	Intermediate Similarity	NPC219428
0.8421	Intermediate Similarity	NPC302857
0.8421	Intermediate Similarity	NPC152942
0.8421	Intermediate Similarity	NPC142703
0.8413	Intermediate Similarity	NPC194519
0.8409	Intermediate Similarity	NPC120852
0.8409	Intermediate Similarity	NPC90431
0.8409	Intermediate Similarity	NPC471988
0.84	Intermediate Similarity	NPC471693
0.8397	Intermediate Similarity	NPC471883
0.839	Intermediate Similarity	NPC179002
0.839	Intermediate Similarity	NPC187583
0.839	Intermediate Similarity	NPC257430

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 NPC147654 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	242
0.1-0.2	848
0.2-0.3	1588
0.3-0.4	2783
0.4-0.5	1840
0.5-0.6	1175
0.6-0.7	591
0.7-0.8	77
0.8-0.85	6
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8702	High Similarity	NPD7266	Discontinued
0.8309	Intermediate Similarity	NPD6190	Approved
0.8254	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.822	Intermediate Similarity	NPD3021	Approved
0.822	Intermediate Similarity	NPD3022	Approved
0.8045	Intermediate Similarity	NPD230	Phase 1
0.8015	Intermediate Similarity	NPD3027	Phase 3
0.7971	Intermediate Similarity	NPD8166	Discontinued
0.7787	Intermediate Similarity	NPD228	Approved
0.7778	Intermediate Similarity	NPD9545	Approved
0.7704	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7704	Intermediate Similarity	NPD4060	Phase 1
0.7704	Intermediate Similarity	NPD1613	Approved
0.7698	Intermediate Similarity	NPD5536	Phase 2
0.7687	Intermediate Similarity	NPD3764	Approved
0.7676	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7669	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7655	Intermediate Similarity	NPD3455	Phase 2
0.7647	Intermediate Similarity	NPD4340	Discontinued
0.7603	Intermediate Similarity	NPD1358	Approved
0.7594	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7589	Intermediate Similarity	NPD4628	Phase 3
0.7586	Intermediate Similarity	NPD1653	Approved
0.7584	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7565	Intermediate Similarity	NPD2934	Approved
0.7565	Intermediate Similarity	NPD2933	Approved
0.7521	Intermediate Similarity	NPD3134	Approved
0.752	Intermediate Similarity	NPD5283	Phase 1
0.75	Intermediate Similarity	NPD2859	Approved
0.75	Intermediate Similarity	NPD2860	Approved
0.75	Intermediate Similarity	NPD2029	Clinical (unspecified phase)
0.7481	Intermediate Similarity	NPD9269	Phase 2
0.7462	Intermediate Similarity	NPD3496	Discontinued
0.7458	Intermediate Similarity	NPD3020	Approved
0.7445	Intermediate Similarity	NPD943	Approved
0.7445	Intermediate Similarity	NPD826	Approved
0.7445	Intermediate Similarity	NPD825	Approved
0.7405	Intermediate Similarity	NPD422	Phase 1
0.7395	Intermediate Similarity	NPD1242	Phase 1
0.7385	Intermediate Similarity	NPD4626	Approved
0.7353	Intermediate Similarity	NPD7095	Approved
0.7351	Intermediate Similarity	NPD3882	Suspended
0.7333	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7333	Intermediate Similarity	NPD2861	Phase 2
0.7333	Intermediate Similarity	NPD9494	Approved
0.7319	Intermediate Similarity	NPD3061	Approved
0.7319	Intermediate Similarity	NPD1558	Phase 1
0.7319	Intermediate Similarity	NPD3059	Approved
0.7319	Intermediate Similarity	NPD3062	Approved
0.731	Intermediate Similarity	NPD1511	Approved
0.7308	Intermediate Similarity	NPD5691	Approved
0.7305	Intermediate Similarity	NPD2935	Discontinued
0.7302	Intermediate Similarity	NPD5535	Approved
0.7299	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.728	Intermediate Similarity	NPD9280	Clinical (unspecified phase)
0.7273	Intermediate Similarity	NPD3705	Approved
0.7273	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7267	Intermediate Similarity	NPD1934	Approved
0.7266	Intermediate Similarity	NPD555	Phase 2
0.7252	Intermediate Similarity	NPD9381	Approved
0.7252	Intermediate Similarity	NPD9384	Approved
0.7231	Intermediate Similarity	NPD1894	Discontinued
0.7231	Intermediate Similarity	NPD1548	Phase 1
0.7219	Intermediate Similarity	NPD2801	Approved
0.7218	Intermediate Similarity	NPD1608	Approved
0.7214	Intermediate Similarity	NPD5314	Approved
0.7211	Intermediate Similarity	NPD1512	Approved
0.7206	Intermediate Similarity	NPD5736	Approved
0.7197	Intermediate Similarity	NPD3847	Discontinued
0.7177	Intermediate Similarity	NPD9265	Clinical (unspecified phase)
0.7176	Intermediate Similarity	NPD9268	Approved
0.7174	Intermediate Similarity	NPD6798	Discontinued
0.7171	Intermediate Similarity	NPD3817	Phase 2
0.7165	Intermediate Similarity	NPD9377	Approved
0.7165	Intermediate Similarity	NPD9379	Approved
0.7164	Intermediate Similarity	NPD2983	Phase 2
0.7164	Intermediate Similarity	NPD2982	Phase 2
0.7153	Intermediate Similarity	NPD4908	Phase 1
0.7143	Intermediate Similarity	NPD6355	Discontinued
0.7143	Intermediate Similarity	NPD6234	Discontinued
0.7143	Intermediate Similarity	NPD1610	Phase 2
0.7143	Intermediate Similarity	NPD1535	Discovery
0.7132	Intermediate Similarity	NPD257	Approved
0.7132	Intermediate Similarity	NPD258	Approved
0.7122	Intermediate Similarity	NPD6233	Phase 2
0.7122	Intermediate Similarity	NPD259	Phase 1
0.7122	Intermediate Similarity	NPD4062	Phase 3
0.7121	Intermediate Similarity	NPD1778	Approved
0.712	Intermediate Similarity	NPD2684	Approved
0.7111	Intermediate Similarity	NPD3225	Approved
0.7111	Intermediate Similarity	NPD5311	Approved
0.7111	Intermediate Similarity	NPD5310	Approved
0.7103	Intermediate Similarity	NPD4110	Phase 3
0.7103	Intermediate Similarity	NPD3750	Approved
0.7103	Intermediate Similarity	NPD4109	Clinical (unspecified phase)
0.7097	Intermediate Similarity	NPD968	Approved
0.709	Intermediate Similarity	NPD2981	Phase 2
0.709	Intermediate Similarity	NPD1481	Phase 2
0.7086	Intermediate Similarity	NPD6386	Approved
0.7086	Intermediate Similarity	NPD6385	Approved
0.708	Intermediate Similarity	NPD3018	Phase 2
0.708	Intermediate Similarity	NPD9569	Approved
0.7075	Intermediate Similarity	NPD4357	Discontinued
0.7075	Intermediate Similarity	NPD6799	Approved
0.7071	Intermediate Similarity	NPD3620	Phase 2
0.7071	Intermediate Similarity	NPD3619	Clinical (unspecified phase)
0.7063	Intermediate Similarity	NPD1551	Phase 2
0.7063	Intermediate Similarity	NPD9570	Approved
0.7059	Intermediate Similarity	NPD3053	Approved
0.7059	Intermediate Similarity	NPD3055	Approved
0.705	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7047	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7045	Intermediate Similarity	NPD5585	Approved
0.7045	Intermediate Similarity	NPD1357	Approved
0.7044	Intermediate Similarity	NPD3818	Discontinued
0.7042	Intermediate Similarity	NPD4978	Clinical (unspecified phase)
0.7037	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.7037	Intermediate Similarity	NPD9622	Approved
0.7034	Intermediate Similarity	NPD3060	Approved
0.7031	Intermediate Similarity	NPD7843	Approved
0.7027	Intermediate Similarity	NPD4160	Clinical (unspecified phase)
0.7019	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7015	Intermediate Similarity	NPD3092	Approved
0.7014	Intermediate Similarity	NPD5762	Approved
0.7014	Intermediate Similarity	NPD5763	Approved
0.7007	Intermediate Similarity	NPD6584	Phase 3
0.7	Intermediate Similarity	NPD6663	Approved
0.7	Intermediate Similarity	NPD7157	Approved
0.7	Intermediate Similarity	NPD4198	Discontinued
0.7	Intermediate Similarity	NPD3686	Approved
0.7	Intermediate Similarity	NPD3687	Approved
0.6993	Remote Similarity	NPD1510	Phase 2
0.6993	Remote Similarity	NPD1465	Phase 2
0.6992	Remote Similarity	NPD17	Approved
0.6985	Remote Similarity	NPD1283	Approved
0.6975	Remote Similarity	NPD7685	Pre-registration
0.6975	Remote Similarity	NPD1432	Clinical (unspecified phase)
0.6968	Remote Similarity	NPD7075	Discontinued
0.6966	Remote Similarity	NPD970	Clinical (unspecified phase)
0.695	Remote Similarity	NPD4140	Approved
0.6947	Remote Similarity	NPD9493	Approved
0.6944	Remote Similarity	NPD5404	Approved
0.6944	Remote Similarity	NPD5405	Approved
0.6944	Remote Similarity	NPD5406	Approved
0.6944	Remote Similarity	NPD5408	Approved
0.6934	Remote Similarity	NPD2797	Approved
0.6934	Remote Similarity	NPD1203	Approved
0.6934	Remote Similarity	NPD3094	Phase 2
0.6933	Remote Similarity	NPD4338	Clinical (unspecified phase)
0.6928	Remote Similarity	NPD37	Approved
0.6918	Remote Similarity	NPD6168	Clinical (unspecified phase)
0.6918	Remote Similarity	NPD4236	Phase 3
0.6918	Remote Similarity	NPD6167	Clinical (unspecified phase)
0.6918	Remote Similarity	NPD4237	Approved
0.6918	Remote Similarity	NPD1652	Phase 2
0.6918	Remote Similarity	NPD6166	Phase 2
0.6917	Remote Similarity	NPD844	Approved
0.6913	Remote Similarity	NPD7422	Clinical (unspecified phase)
0.6913	Remote Similarity	NPD3536	Discontinued
0.6911	Remote Similarity	NPD940	Approved
0.6911	Remote Similarity	NPD846	Approved
0.6909	Remote Similarity	NPD8055	Clinical (unspecified phase)
0.6908	Remote Similarity	NPD4380	Phase 2
0.6903	Remote Similarity	NPD4965	Approved
0.6903	Remote Similarity	NPD4967	Phase 2
0.6903	Remote Similarity	NPD4966	Approved
0.6901	Remote Similarity	NPD5124	Phase 1
0.6901	Remote Similarity	NPD447	Suspended
0.6901	Remote Similarity	NPD5123	Clinical (unspecified phase)
0.6899	Remote Similarity	NPD6232	Discontinued
0.6894	Remote Similarity	NPD5844	Phase 1
0.6894	Remote Similarity	NPD7054	Approved
0.6889	Remote Similarity	NPD1091	Approved
0.6884	Remote Similarity	NPD9619	Approved
0.6884	Remote Similarity	NPD9621	Approved
0.6884	Remote Similarity	NPD9620	Approved
0.6883	Remote Similarity	NPD7819	Suspended
0.6883	Remote Similarity	NPD7096	Clinical (unspecified phase)
0.688	Remote Similarity	NPD9697	Approved
0.6879	Remote Similarity	NPD2674	Phase 3
0.6875	Remote Similarity	NPD7033	Discontinued
0.6875	Remote Similarity	NPD651	Clinical (unspecified phase)
0.6875	Remote Similarity	NPD2799	Discontinued
0.6871	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.687	Remote Similarity	NPD6671	Approved
0.6867	Remote Similarity	NPD7314	Clinical (unspecified phase)
0.6866	Remote Similarity	NPD6516	Phase 2
0.6866	Remote Similarity	NPD5846	Approved
0.6857	Remote Similarity	NPD9537	Phase 1
0.6857	Remote Similarity	NPD9536	Phase 1
0.6857	Remote Similarity	NPD5163	Phase 2
0.6853	Remote Similarity	NPD6653	Approved
0.6852	Remote Similarity	NPD7472	Approved
0.6852	Remote Similarity	NPD7074	Phase 3
0.6849	Remote Similarity	NPD1549	Phase 2
0.6846	Remote Similarity	NPD1241	Discontinued
0.6842	Remote Similarity	NPD3091	Approved
0.6839	Remote Similarity	NPD5402	Approved
0.6838	Remote Similarity	NPD2337	Clinical (unspecified phase)
0.6835	Remote Similarity	NPD7199	Phase 2

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