NPASS Natural Product

Natural Product: NPC329631

Natural Product ID:	NPC329631
Common Name:	Win-552122
IUPAC Name:
Synonyms:	WIN-55212-2
Molecular Formula:	C27H26N2O3
Standard InCHIKey:	HQVHOQAKMCMIIM-HXUWFJFHSA-N
Standard InCHI:	InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
Canonical SMILES:	O=C(c1c(C)n2c3c1cccc3OC[C@H]2CN1CCOCC1)c1cccc2c1cccc2
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Collection Location	Collection Time	Reference
NPO33402	machaerium multiflorum	Species	NA	Eukaryota				PMID[11678659]
NPO33253	Irciniidae	Family	Irciniidae	Eukaryota		Australia		PMID[20346682]

Biological Activity

Activity Type	# Activity
EC50	36
ED50	11
IC50	19
Ki	130
Others	41
Potency	25

Activity Type	# Activity
Cell Line	2
Individual Protein	209
Organism	23
Others	23
Protein Family	5

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT538	Individual Protein	Niemann-Pick C1 protein	Homo sapiens	Potency	=	58047.9	nM	10785416
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	EC50	=	1.5	nM	9548881
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	11.3	nM	20704331
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	9.1	nM	18590312
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	52.4	nM	23691978
NPT3955	Individual Protein	Cannabinoid CB2 receptor	Rattus norvegicus	Activity	=	46	%	23734701
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	EC50	=	12.3	nM	11720540
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	IC50	=	15.7	nM	17524651
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	0.9	nM	8277313
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	8.8	nM	26654828
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	79.43	nM	22342628
NPT940	Individual Protein	Serine/threonine-protein kinase mTOR	Homo sapiens	Potency	=	18492.7	nM	PubChem BioAssay data set
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	0.3	nM	26636180
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	1.9	nM	26636180
NPT5	Individual Protein	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Homo sapiens	Potency		11220.2	nM	11421731
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	6.06	nM	DrugMatrix in vivo data: Pathology
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	EC50	=	89.6	nM	DrugMatrix in vivo data: Pathology
NPT938	Organism	Cavia porcellus	Cavia porcellus	EC50	=	4.92	nM	DrugMatrix in vivo data: Hematology
NPT32	Organism	Mus musculus	Mus musculus	ED50	=	2.8	umol/kg	24601675
NPT6282	Individual Protein	Chaperonin GroEL (Thermosome, HSP60 family)	Methanococcus maripaludis (strain S2 / LL)	Potency		100000	nM	16203143
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	3.1	nM	23819826
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	EC50	=	14.8	nM	12670149
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	0.3	nM	25734623
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	1.3	nM	15730257
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	40.9	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Ratio Ki	=	2.74		22280481
NPT32	Organism	Mus musculus	Mus musculus	IC50	=	0.43	nM	16513348
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	4.95	nM	PubChem BioAssay data set
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	21	nM	22459211
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	45.6	nM	23683594
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	2	nM	15711537
NPT2	Others	Unspecified		Ratio Ki	=	0.07		23398362
NPT61	Individual Protein	Beta-glucocerebrosidase	Homo sapiens	Potency		39810.7	nM	22694318
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	EC50	=	50.12	nM	24893224
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	9.1	nM	25871540
NPT94	Individual Protein	Aldehyde dehydrogenase 1A1	Homo sapiens	Potency	=	17.8	nM	3236010
NPT3955	Individual Protein	Cannabinoid CB2 receptor	Rattus norvegicus	Ki	=	7.73	nM	7908950
NPT2	Others	Unspecified		Potency		8912.5	nM	18198839
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	107	nM	12880316
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Activity	=	61	%	19284743
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	1.9	nM	20515062
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	45.6	nM	17980607
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	IC50	=	200	nM	22916954
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	4.53	nM	26859776
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	21	nM	15387665
NPT2	Others	Unspecified		Potency		8912.5	nM	10346942
NPT32	Organism	Mus musculus	Mus musculus	ED50	=	0.21	mg/kg	15217273
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	0.3	nM	17822299
NPT64	Individual Protein	ATPase family AAA domain-containing protein 5	Homo sapiens	Potency		32629.4	nM	19674906
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	EC50	=	14	nM	16005211
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	140	nM	16005211
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	36.2	nM	23252848
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EC50	=	180	nM	17306980
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EC50	=	186208713.7	nM	17306980
NPT1361	Individual Protein	Cannabinoid CB1 receptor	Rattus norvegicus	Activity	=	47.1	%	17132069
NPT32	Organism	Mus musculus	Mus musculus	IC50	=	6	nM	19403307
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	EC50	=	86	nM	18694944
NPT2	Others	Unspecified		Ratio Ki	=	10		20797808
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Activity	=	74	%	20421401
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	150	nM	20566771
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	EC50	=	2	nM	22578509
NPT3955	Individual Protein	Cannabinoid CB2 receptor	Rattus norvegicus	EC50	=	1.5	nM	22541068
NPT1361	Individual Protein	Cannabinoid CB1 receptor	Rattus norvegicus	Activity	=	108	%	21920636
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	12.5	nM	Open TG-GATES in vivo data: Organ Weight
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	9.1	nM	25801151
NPT2	Others	Unspecified		Ratio Ki	=	14.1		21980963
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	3.1	nM	19301902
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	EC50	=	89.6	nM	20055418
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	EC50	=	37	nM	20143840
NPT492	Cell Line	Caco-2	Homo sapiens	Ratio	=	0.74		23252603
NPT32	Organism	Mus musculus	Mus musculus	ED50	=	6.53	umol/kg	10.6019/CHEMBL1201861
NPT2	Others	Unspecified		Ratio Ki	=	6		10.6019/CHEMBL1201861
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	3800	nM	23914900
NPT4118	Protein Family	Cannabinoid receptor	Rattus norvegicus	IC50	=	2.77	nM	22537362
NPT32	Organism	Mus musculus	Mus musculus	IC50	=	9000	nM	22537362
NPT32	Organism	Mus musculus	Mus musculus	ED50	=	33	mg/kg	22360639
NPT2	Others	Unspecified		Ratio Ki	=	10		PubChem BioAssay data set
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	EC50	=	31.62	nM	16499322
NPT2	Others	Unspecified		Ratio Ki	=	0.1		9213587
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	2.512	nM	18077363
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	12.59	nM	18077363
NPT1361	Individual Protein	Cannabinoid CB1 receptor	Rattus norvegicus	Ki	=	1.9	nM	18524584
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	1.2	nM	16180824
NPT940	Individual Protein	Serine/threonine-protein kinase mTOR	Homo sapiens	Potency	=	14689.2	nM	10.1007/s00044-011-9965-x
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	EC50	=	110	nM	DrugMatrix in vivo data: Pathology
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	3.7	nM	18329753
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	IC50	=	2	nM	23631483
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	2.48	nM	PubChem BioAssay data set
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	0.28	nM	PubChem BioAssay data set
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	0.3	nM	24863745
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	1.9	nM	24863745
NPT2	Others	Unspecified		Ratio	=	6.8		25464882
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	0.28	nM	25464882
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	52.4	nM	22506638
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	16.1	nM	19585998
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	9.1	nM	19585998
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	23	nM	11325240
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	EC50	=	24.5	nM	7901341
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	12.4	nM	23368996
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	EC50	=	50.12	nM	9644066
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	13.3	nM	16441065
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	21	nM	26226070
NPT537	Individual Protein	Ras-related protein Rab-9A	Homo sapiens	Potency	=	58047.9	nM	18044832
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	21	nM	17685651
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	152.2	nM	16499318
NPT1361	Individual Protein	Cannabinoid CB1 receptor	Rattus norvegicus	Ki	=	4.5	nM	20430633
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	EC50	=	31.62	nM	19928902
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	94.5	nM	19928902
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	3.1	nM	16168652
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	13.3	nM	22148427
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	IC50	=	17	nM	10447950
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ED50	=	1.6	umol/kg	18183025
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Ratio	=	3.7		18183025
NPT2	Others	Unspecified		Potency		8912.5	nM	17850214
NPT198	Individual Protein	Vitamin D receptor	Homo sapiens	Potency		89125.1	nM	23398362
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Inhibition	=	70	%	23398362
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	3.7	nM	23398362
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	45.59	nM	23260578
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	20	nM	18077363
NPT312	Organism	Saccharomyces cerevisiae	Saccharomyces cerevisiae	Potency	=	9200	nM	7852999
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	2	nM	20155971
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	6.31	nM	18077173
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	2.1	nM	15104491
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	9.2	nM	12880316
NPT2	Others	Unspecified		EC50	=	47	nM	25625705
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	EC50	=	50.12	nM	12617583
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	1.9	nM	12088422
NPT32	Organism	Mus musculus	Mus musculus	ED50	=	0.23	umol/kg	10075783
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	13	nM	PubChem BioAssay data set
NPT940	Individual Protein	Serine/threonine-protein kinase mTOR	Homo sapiens	Potency	=	16481.6	nM	22316191
NPT32	Organism	Mus musculus	Mus musculus	ED50	=	0.0017	umol/kg	22264170
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	20	nM	20185316
NPT2	Others	Unspecified		Ki	=	1.8	nM	27043269
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Inhibition	=	27	%	PubChem BioAssay data set
NPT1361	Individual Protein	Cannabinoid CB1 receptor	Rattus norvegicus	IC50	=	430	nM	17698630
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	3802	nM	19114678
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	EC50	=	2.04	nM	DrugMatrix in vitro pharmacology data
NPT2	Others	Unspecified		Ratio Ki	=	10		12086499
NPT64	Individual Protein	ATPase family AAA domain-containing protein 5	Homo sapiens	Potency		23099.9	nM	19897363
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	IC50	=	3.4	nM	18183025
NPT3955	Individual Protein	Cannabinoid CB2 receptor	Rattus norvegicus	IC50	=	2200	nM	18183025
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	IC50	=	16	nM	18077363
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	IC50	=	140	nM	DrugMatrix in vivo data: Biochemistry
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	3.9	nM	DrugMatrix in vivo data: Biochemistry
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	2.5	nM	9213587
NPT1361	Individual Protein	Cannabinoid CB1 receptor	Rattus norvegicus	EC50	=	10	nM	25437304
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Activity	=	98	%	25437304
NPT32	Organism	Mus musculus	Mus musculus	IC50	=	8000	nM	16643047
NPT1362	Protein Family	Cannabinoid receptor	Homo sapiens	Ratio	=	10		16643047
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	40	nM	16643047
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	4	nM	16643047
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	14	nM	15043420
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	2.2	nM	15043420
NPT1170	Individual Protein	Cannabinoid CB1 receptor	Mus musculus	Ki	=	7	nM	15043420
NPT1169	Individual Protein	Cannabinoid CB2 receptor	Mus musculus	Ki	=	6	nM	15043420
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	IC50	=	1.1	nM	15043420
NPT2	Others	Unspecified		Ratio Ki	=	0.1		8308864
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	9.1	nM	8308864
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	70	nM	20100877
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	2.1	nM	19223615
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	9.2	nM	19223615
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Inhibition	=	70	%	16472241
NPT2	Others	Unspecified		Potency		8912.5	nM	18494522
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	36.2	nM	18494522
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	4.6	nM	17822299
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	2.1	nM	14640515
NPT4118	Protein Family	Cannabinoid receptor	Rattus norvegicus	IC50	=	5.56	nM	12502324
NPT32	Organism	Mus musculus	Mus musculus	ED50	=	33	mg/kg	10924166
NPT32	Organism	Mus musculus	Mus musculus	ED50	=	0.25	mg/kg	10924166
NPT4118	Protein Family	Cannabinoid receptor	Rattus norvegicus	Inhibition	=	-35	%	10924166
NPT1016	Organism	Canis familiaris	Canis lupus familiaris	Inhibition	=	81.7	%	25918997
NPT1016	Organism	Canis familiaris	Canis lupus familiaris	Inhibition	=	58	%	25918997
NPT1016	Organism	Canis familiaris	Canis lupus familiaris	Inhibition	=	14.1	%	25918997
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	45.6	nM	18052327
NPT1170	Individual Protein	Cannabinoid CB1 receptor	Mus musculus	Ki	=	1.6	nM	18198839
NPT1170	Individual Protein	Cannabinoid CB1 receptor	Mus musculus	Ki	=	20	nM	18198839
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Activity	=	74	%	19489596
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	3802	nM	18088097
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	2.1	nM	22365754
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	21	nM	16792409
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	EC50	=	24.6	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Ratio Ki	=	2.77		12762820
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Activity	=	3.1	nmol	20429578
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	EC50	=	1.585	nM	13678412
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	13.3	nM	17485504
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	13.18	nM	18578517
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	1.3	nM	18578517
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	1.288	nM	18578517
NPT1170	Individual Protein	Cannabinoid CB1 receptor	Mus musculus	EC50	=	204	nM	22037378
NPT1170	Individual Protein	Cannabinoid CB1 receptor	Mus musculus	EC50	=	1450	nM	DrugMatrix in vitro pharmacology data
NPT32	Organism	Mus musculus	Mus musculus	ED50	=	0.94	umol/kg	PubChem BioAssay data set
NPT32	Organism	Mus musculus	Mus musculus	ED50	=	28	umol/kg	PubChem BioAssay data set
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	EC50	=	0.39	nM	23398362
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	EC50	=	37.6	nM	23398362
NPT1169	Individual Protein	Cannabinoid CB2 receptor	Mus musculus	Activity	=	56	%	23398362
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	21	nM	10425121
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	9.2	nM	12502334
NPT1361	Individual Protein	Cannabinoid CB1 receptor	Rattus norvegicus	Ki	=	14.4	nM	22264149
NPT2	Others	Unspecified		Potency		25929	nM	22283497
NPT583	Individual Protein	Inositol monophosphatase 1	Rattus norvegicus	Potency	=	2511.9	nM	11929285
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Activity	=	50	%	24063582
NPT1361	Individual Protein	Cannabinoid CB1 receptor	Rattus norvegicus	Ki	=	36	nM	16962325
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	IC50	=	8.9	nM	PubChem BioAssay data set
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	EC50	=	86	nM	19715320
NPT3955	Individual Protein	Cannabinoid CB2 receptor	Rattus norvegicus	Ki	=	7.58	nM	19715320
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Activity	=	113	%	12502328
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	2.9	nM	23501116
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Activity	=	127.8	%	25763602
NPT1361	Individual Protein	Cannabinoid CB1 receptor	Rattus norvegicus	Ki	=	9.9	nM	12027766
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Activity	=	0.69	nmol	20598881
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Activity	=	1.27	nmol	20598881
NPT71	Cell Line	HEK293	Homo sapiens	Potency		20587.8	nM	12762790
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ratio	=	1		PubChem BioAssay data set
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	EC50	=	1760	nM	PubChem BioAssay data set
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	16.1	nM	23647825
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	12.59	nM	23145884
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	2.512	nM	19008110
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	2.1	nM	15104488
NPT531	Individual Protein	Nuclear receptor ROR-gamma	Mus musculus	Potency	=	19952.6	nM	17125236
NPT1361	Individual Protein	Cannabinoid CB1 receptor	Rattus norvegicus	Ki	=	6.06	nM	16792412
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	1.3	nM	17896816
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	EC50	=	112	nM	24251417
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	2.512	nM	19334707
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	12.59	nM	19334707
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	IC50	=	59	nM	23206866
NPT7	Individual Protein	Thioredoxin reductase 1, cytoplasmic	Rattus norvegicus	Potency		15003	nM	23206866
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	3.7	nM	8984155
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	1.9	nM	10843574
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	13.18	nM	88001
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	EC50	=	0.47	nM	17279798
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	45	nM	17253859
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	199	nM	17253859
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	15	nM	17253859
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	12	nM	2128517
NPT1361	Individual Protein	Cannabinoid CB1 receptor	Rattus norvegicus	Ki	=	15.6	nM	20146503
NPT1362	Protein Family	Cannabinoid receptor	Homo sapiens	Ki	=	24	nM	24601675
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	46	nM	17958396
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	0.3	nM	25763602
NPT2	Others	Unspecified		Ratio Ki	=	2.7		23385212
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	EC50	=	24.6	nM	20550123
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	1.288	nM	20373816
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	2.1	nM	18180356
NPT444	Individual Protein	Ubiquitin carboxyl-terminal hydrolase 1	Homo sapiens	Potency		56234.1	nM	18779359
NPT2	Others	Unspecified		Ratio Ki	=	6.8		19001116
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	0.28	nM	Open TG-GATES in vivo data: Hematology
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	1.9	nM	Open TG-GATES in vivo data: Hematology
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	2.1	nM	Open TG-GATES in vivo data: Hematology
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	0.45	nM	Open TG-GATES in vivo data: Hematology
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	2	nM	DrugMatrix in vivo data: Biochemistry
NPT1361	Individual Protein	Cannabinoid CB1 receptor	Rattus norvegicus	Ki	=	912010839.4	nM	24126094
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Activity	=	207.1	%	25735399
NPT2	Others	Unspecified		Potency		29081	nM	18363379
NPT2	Others	Unspecified		Ratio Ki	=	10	nM	18396904
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	3.7	nM	11754602
NPT135	Individual Protein	Chromobox protein homolog 1	Homo sapiens	Potency		6	nM	8377017
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	52.4	nM	25442304
NPT2	Others	Unspecified		Ratio Ki	=	2.3		18442289
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	EC50	=	316.23	nM	17844994
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	2.1	nM	17844994
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	IC50	=	63.1	nM	17844994
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	EC50	=	15.6	nM	20144865
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	3.73	nM	16872140

Similar Natural Products 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 NPC329631 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	433
0.1-0.2	1986
0.2-0.3	8991
0.3-0.4	3937
0.4-0.5	10713
0.5-0.6	3376
0.6-0.7	1212
0.7-0.8	237
0.8-0.85	4
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.8186	Intermediate Similarity	NPC49547
0.817	Intermediate Similarity	NPC74575
0.8114	Intermediate Similarity	NPC39370
0.8106	Intermediate Similarity	NPC473186
0.7991	Intermediate Similarity	NPC264176
0.7991	Intermediate Similarity	NPC208522
0.7982	Intermediate Similarity	NPC472099
0.7965	Intermediate Similarity	NPC470018
0.7909	Intermediate Similarity	NPC472098
0.7904	Intermediate Similarity	NPC474688
0.79	Intermediate Similarity	NPC470020
0.789	Intermediate Similarity	NPC270515
0.7888	Intermediate Similarity	NPC470022
0.7863	Intermediate Similarity	NPC148889
0.7857	Intermediate Similarity	NPC288987
0.7851	Intermediate Similarity	NPC478078
0.7842	Intermediate Similarity	NPC53534
0.7832	Intermediate Similarity	NPC216612
0.7743	Intermediate Similarity	NPC225279
0.7724	Intermediate Similarity	NPC132385
0.7724	Intermediate Similarity	NPC152620
0.7703	Intermediate Similarity	NPC187501
0.7696	Intermediate Similarity	NPC257851
0.7692	Intermediate Similarity	NPC470017
0.7675	Intermediate Similarity	NPC144452
0.7668	Intermediate Similarity	NPC94157
0.7642	Intermediate Similarity	NPC322482
0.7637	Intermediate Similarity	NPC475844
0.7634	Intermediate Similarity	NPC39500
0.7621	Intermediate Similarity	NPC208084
0.7619	Intermediate Similarity	NPC157931
0.7605	Intermediate Similarity	NPC72905
0.7602	Intermediate Similarity	NPC185197
0.7577	Intermediate Similarity	NPC131885
0.7557	Intermediate Similarity	NPC472111
0.7531	Intermediate Similarity	NPC67401
0.7521	Intermediate Similarity	NPC475253
0.752	Intermediate Similarity	NPC227824
0.7511	Intermediate Similarity	NPC471762
0.7511	Intermediate Similarity	NPC66777
0.7511	Intermediate Similarity	NPC274640
0.7511	Intermediate Similarity	NPC132642
0.75	Intermediate Similarity	NPC184408
0.75	Intermediate Similarity	NPC142385
0.75	Intermediate Similarity	NPC471304
0.748	Intermediate Similarity	NPC478083
0.7479	Intermediate Similarity	NPC101350
0.7467	Intermediate Similarity	NPC146418
0.7466	Intermediate Similarity	NPC475774
0.746	Intermediate Similarity	NPC191489
0.7459	Intermediate Similarity	NPC137353
0.7457	Intermediate Similarity	NPC21638
0.7454	Intermediate Similarity	NPC475190
0.7449	Intermediate Similarity	NPC258048
0.7447	Intermediate Similarity	NPC474701
0.7446	Intermediate Similarity	NPC210434
0.7437	Intermediate Similarity	NPC235685
0.7426	Intermediate Similarity	NPC253675
0.7412	Intermediate Similarity	NPC152768
0.7412	Intermediate Similarity	NPC148183
0.741	Intermediate Similarity	NPC315634
0.741	Intermediate Similarity	NPC100734
0.741	Intermediate Similarity	NPC88923
0.7406	Intermediate Similarity	NPC258480
0.7403	Intermediate Similarity	NPC280799
0.7401	Intermediate Similarity	NPC236668
0.7398	Intermediate Similarity	NPC244543
0.7388	Intermediate Similarity	NPC473188
0.7386	Intermediate Similarity	NPC124300
0.7385	Intermediate Similarity	NPC472116
0.7382	Intermediate Similarity	NPC473449
0.7382	Intermediate Similarity	NPC179287
0.7373	Intermediate Similarity	NPC260434
0.7373	Intermediate Similarity	NPC476999
0.7368	Intermediate Similarity	NPC146976
0.7366	Intermediate Similarity	NPC53344
0.7366	Intermediate Similarity	NPC310618
0.7359	Intermediate Similarity	NPC323969
0.7357	Intermediate Similarity	NPC38237
0.7357	Intermediate Similarity	NPC474428
0.7357	Intermediate Similarity	NPC26679
0.7355	Intermediate Similarity	NPC291609
0.7354	Intermediate Similarity	NPC470930
0.7348	Intermediate Similarity	NPC96321
0.7347	Intermediate Similarity	NPC165964
0.7347	Intermediate Similarity	NPC26543
0.7345	Intermediate Similarity	NPC199667
0.7342	Intermediate Similarity	NPC469554
0.7339	Intermediate Similarity	NPC205372
0.7339	Intermediate Similarity	NPC122436
0.7339	Intermediate Similarity	NPC318068
0.7336	Intermediate Similarity	NPC161801
0.7336	Intermediate Similarity	NPC66210
0.7333	Intermediate Similarity	NPC287208
0.7331	Intermediate Similarity	NPC278525
0.7331	Intermediate Similarity	NPC24019
0.733	Intermediate Similarity	NPC11017
0.7325	Intermediate Similarity	NPC476287
0.7321	Intermediate Similarity	NPC45190
0.7319	Intermediate Similarity	NPC140296
0.7319	Intermediate Similarity	NPC473185
0.7311	Intermediate Similarity	NPC22481
0.7311	Intermediate Similarity	NPC474798
0.7301	Intermediate Similarity	NPC473181
0.7301	Intermediate Similarity	NPC469589
0.7288	Intermediate Similarity	NPC314954
0.7288	Intermediate Similarity	NPC476997
0.7281	Intermediate Similarity	NPC473180
0.728	Intermediate Similarity	NPC129897
0.7269	Intermediate Similarity	NPC196718
0.7265	Intermediate Similarity	NPC295898
0.7265	Intermediate Similarity	NPC51388
0.7262	Intermediate Similarity	NPC230683
0.7258	Intermediate Similarity	NPC329982
0.7257	Intermediate Similarity	NPC476998
0.7257	Intermediate Similarity	NPC470931
0.7257	Intermediate Similarity	NPC82548
0.7257	Intermediate Similarity	NPC476996
0.7253	Intermediate Similarity	NPC198503
0.725	Intermediate Similarity	NPC108342
0.725	Intermediate Similarity	NPC477549
0.7249	Intermediate Similarity	NPC324361
0.7244	Intermediate Similarity	NPC300156
0.7238	Intermediate Similarity	NPC141053
0.7232	Intermediate Similarity	NPC245816
0.7232	Intermediate Similarity	NPC476138
0.7229	Intermediate Similarity	NPC305984
0.7227	Intermediate Similarity	NPC245916
0.7225	Intermediate Similarity	NPC185782
0.722	Intermediate Similarity	NPC472061
0.722	Intermediate Similarity	NPC189903
0.722	Intermediate Similarity	NPC182907
0.7217	Intermediate Similarity	NPC118228
0.7215	Intermediate Similarity	NPC476994
0.7215	Intermediate Similarity	NPC311906
0.7213	Intermediate Similarity	NPC75179
0.7212	Intermediate Similarity	NPC249583
0.7211	Intermediate Similarity	NPC284685
0.7202	Intermediate Similarity	NPC477066
0.7198	Intermediate Similarity	NPC473041
0.7197	Intermediate Similarity	NPC475720
0.7197	Intermediate Similarity	NPC101543
0.7197	Intermediate Similarity	NPC102593
0.7197	Intermediate Similarity	NPC474192
0.7193	Intermediate Similarity	NPC290689
0.7191	Intermediate Similarity	NPC94842
0.7189	Intermediate Similarity	NPC242928
0.7174	Intermediate Similarity	NPC232225
0.7172	Intermediate Similarity	NPC478081
0.716	Intermediate Similarity	NPC303374
0.716	Intermediate Similarity	NPC41501
0.7155	Intermediate Similarity	NPC477112
0.7155	Intermediate Similarity	NPC293151
0.7149	Intermediate Similarity	NPC476995
0.7149	Intermediate Similarity	NPC174758
0.7143	Intermediate Similarity	NPC194740
0.7143	Intermediate Similarity	NPC16066
0.7137	Intermediate Similarity	NPC34770
0.7137	Intermediate Similarity	NPC193238
0.7137	Intermediate Similarity	NPC469439
0.7137	Intermediate Similarity	NPC90875
0.7137	Intermediate Similarity	NPC4687
0.7136	Intermediate Similarity	NPC230403
0.713	Intermediate Similarity	NPC128823
0.7126	Intermediate Similarity	NPC218388
0.7125	Intermediate Similarity	NPC233334
0.7119	Intermediate Similarity	NPC314633
0.7119	Intermediate Similarity	NPC166722
0.7118	Intermediate Similarity	NPC269367
0.7118	Intermediate Similarity	NPC124086
0.7108	Intermediate Similarity	NPC133609
0.7107	Intermediate Similarity	NPC473187
0.7102	Intermediate Similarity	NPC477067
0.7102	Intermediate Similarity	NPC166712
0.7102	Intermediate Similarity	NPC478082
0.71	Intermediate Similarity	NPC271215
0.71	Intermediate Similarity	NPC149471
0.7098	Intermediate Similarity	NPC329793
0.7097	Intermediate Similarity	NPC91868
0.7097	Intermediate Similarity	NPC63971
0.7095	Intermediate Similarity	NPC473105
0.7094	Intermediate Similarity	NPC473179
0.7092	Intermediate Similarity	NPC478045
0.7087	Intermediate Similarity	NPC220337
0.7082	Intermediate Similarity	NPC246658
0.7078	Intermediate Similarity	NPC472112
0.7078	Intermediate Similarity	NPC473183
0.7078	Intermediate Similarity	NPC6786
0.7076	Intermediate Similarity	NPC280272
0.7074	Intermediate Similarity	NPC209769
0.7074	Intermediate Similarity	NPC174672
0.7068	Intermediate Similarity	NPC203373
0.7067	Intermediate Similarity	NPC118511
0.7067	Intermediate Similarity	NPC470586
0.7067	Intermediate Similarity	NPC31930
0.7066	Intermediate Similarity	NPC473184
0.7066	Intermediate Similarity	NPC182222
0.7061	Intermediate Similarity	NPC283117
0.7061	Intermediate Similarity	NPC210296
0.7056	Intermediate Similarity	NPC310211

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC329631 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	264
0.1-0.2	665
0.2-0.3	1006
0.3-0.4	1194
0.4-0.5	2641
0.5-0.6	2318
0.6-0.7	922
0.7-0.8	147
0.8-0.85	3
0.85-0.9	0
0.9-0.95	0
0.95-1	1

Similarity Score	Similarity Level	Drug ID	Developmental Stage
1.0	High Similarity	NPD6741	Clinical (unspecified phase)
0.806	Intermediate Similarity	NPD6716	Phase 1
0.8054	Intermediate Similarity	NPD7395	Discontinued
0.8	Intermediate Similarity	NPD3006	Discontinued
0.793	Intermediate Similarity	NPD7994	Phase 2
0.7851	Intermediate Similarity	NPD7268	Clinical (unspecified phase)
0.7838	Intermediate Similarity	NPD5417	Clinical (unspecified phase)
0.7812	Intermediate Similarity	NPD4429	Discontinued
0.7783	Intermediate Similarity	NPD6567	Clinical (unspecified phase)
0.7783	Intermediate Similarity	NPD5022	Discontinued
0.7763	Intermediate Similarity	NPD7222	Phase 2
0.7763	Intermediate Similarity	NPD5429	Discontinued
0.7753	Intermediate Similarity	NPD6160	Clinical (unspecified phase)
0.7706	Intermediate Similarity	NPD4952	Phase 3
0.7703	Intermediate Similarity	NPD5416	Discontinued
0.7702	Intermediate Similarity	NPD7925	Phase 2
0.7702	Intermediate Similarity	NPD7924	Phase 2
0.7686	Intermediate Similarity	NPD6247	Clinical (unspecified phase)
0.7686	Intermediate Similarity	NPD8463	Approved
0.7679	Intermediate Similarity	NPD5293	Phase 2
0.7679	Intermediate Similarity	NPD7538	Clinical (unspecified phase)
0.7672	Intermediate Similarity	NPD6962	Phase 2
0.7635	Intermediate Similarity	NPD6525	Clinical (unspecified phase)
0.7634	Intermediate Similarity	NPD3945	Discontinued
0.7629	Intermediate Similarity	NPD5479	Discontinued
0.7617	Intermediate Similarity	NPD7853	Phase 2
0.7615	Intermediate Similarity	NPD5483	Clinical (unspecified phase)
0.7607	Intermediate Similarity	NPD4373	Phase 2
0.7598	Intermediate Similarity	NPD2285	Clinical (unspecified phase)
0.7588	Intermediate Similarity	NPD5850	Phase 3
0.7576	Intermediate Similarity	NPD7426	Phase 1
0.7558	Intermediate Similarity	NPD4987	Clinical (unspecified phase)
0.7543	Intermediate Similarity	NPD3259	Approved
0.7523	Intermediate Similarity	NPD7452	Approved
0.7523	Intermediate Similarity	NPD7453	Approved
0.7522	Intermediate Similarity	NPD6824	Clinical (unspecified phase)
0.7511	Intermediate Similarity	NPD7180	Phase 3
0.7511	Intermediate Similarity	NPD4958	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD6861	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD6568	Discontinued
0.749	Intermediate Similarity	NPD6790	Phase 1
0.749	Intermediate Similarity	NPD7417	Discontinued
0.7489	Intermediate Similarity	NPD7031	Phase 1
0.7489	Intermediate Similarity	NPD2433	Clinical (unspecified phase)
0.7479	Intermediate Similarity	NPD5801	Clinical (unspecified phase)
0.746	Intermediate Similarity	NPD7708	Approved
0.7449	Intermediate Similarity	NPD8102	Discontinued
0.7438	Intermediate Similarity	NPD8100	Phase 3
0.7435	Intermediate Similarity	NPD6242	Discontinued
0.7424	Intermediate Similarity	NPD5632	Approved
0.7414	Intermediate Similarity	NPD7547	Clinical (unspecified phase)
0.7411	Intermediate Similarity	NPD7467	Discontinued
0.741	Intermediate Similarity	NPD7803	Approved
0.7409	Intermediate Similarity	NPD6961	Discontinued
0.7395	Intermediate Similarity	NPD5891	Approved
0.7385	Intermediate Similarity	NPD5512	Phase 3
0.7379	Intermediate Similarity	NPD8091	Phase 3
0.7375	Intermediate Similarity	NPD2921	Clinical (unspecified phase)
0.7366	Intermediate Similarity	NPD5488	Discontinued
0.7362	Intermediate Similarity	NPD7710	Clinical (unspecified phase)
0.7353	Intermediate Similarity	NPD2951	Discontinued
0.7347	Intermediate Similarity	NPD5482	Discontinued
0.7347	Intermediate Similarity	NPD8101	Phase 3
0.7339	Intermediate Similarity	NPD4418	Discontinued
0.7339	Intermediate Similarity	NPD8049	Phase 2
0.7277	Intermediate Similarity	NPD3946	Clinical (unspecified phase)
0.7265	Intermediate Similarity	NPD7868	Clinical (unspecified phase)
0.7256	Intermediate Similarity	NPD5256	Discontinued
0.7253	Intermediate Similarity	NPD7556	Discontinued
0.7244	Intermediate Similarity	NPD3507	Phase 2
0.7244	Intermediate Similarity	NPD5530	Phase 1
0.7231	Intermediate Similarity	NPD8016	Phase 3
0.7231	Intermediate Similarity	NPD8017	Clinical (unspecified phase)
0.7222	Intermediate Similarity	NPD6393	Clinical (unspecified phase)
0.722	Intermediate Similarity	NPD7566	Clinical (unspecified phase)
0.722	Intermediate Similarity	NPD4368	Phase 2
0.7217	Intermediate Similarity	NPD6140	Clinical (unspecified phase)
0.7211	Intermediate Similarity	NPD7955	Approved
0.7211	Intermediate Similarity	NPD7956	Approved
0.721	Intermediate Similarity	NPD7678	Clinical (unspecified phase)
0.7207	Intermediate Similarity	NPD2778	Approved
0.7205	Intermediate Similarity	NPD5866	Approved
0.7205	Intermediate Similarity	NPD7069	Discontinued
0.7203	Intermediate Similarity	NPD7674	Phase 3
0.7203	Intermediate Similarity	NPD7675	Phase 3
0.7203	Intermediate Similarity	NPD3263	Phase 3
0.7203	Intermediate Similarity	NPD7676	Clinical (unspecified phase)
0.7189	Intermediate Similarity	NPD4926	Clinical (unspecified phase)
0.7185	Intermediate Similarity	NPD8052	Clinical (unspecified phase)
0.7185	Intermediate Similarity	NPD1659	Phase 1
0.7178	Intermediate Similarity	NPD3250	Phase 1
0.7169	Intermediate Similarity	NPD6569	Phase 2
0.7167	Intermediate Similarity	NPD6974	Phase 3
0.7165	Intermediate Similarity	NPD6456	Discontinued
0.7163	Intermediate Similarity	NPD5083	Clinical (unspecified phase)
0.7161	Intermediate Similarity	NPD3925	Approved
0.716	Intermediate Similarity	NPD8247	Approved
0.716	Intermediate Similarity	NPD8246	Approved
0.7155	Intermediate Similarity	NPD4989	Phase 2
0.7154	Intermediate Similarity	NPD6460	Clinical (unspecified phase)
0.7149	Intermediate Similarity	NPD3477	Phase 2
0.7149	Intermediate Similarity	NPD3478	Clinical (unspecified phase)
0.7149	Intermediate Similarity	NPD6550	Discontinued
0.7143	Intermediate Similarity	NPD4948	Discontinued
0.7143	Intermediate Similarity	NPD3257	Approved
0.7125	Intermediate Similarity	NPD4885	Approved
0.7118	Intermediate Similarity	NPD3392	Approved
0.7118	Intermediate Similarity	NPD1166	Clinical (unspecified phase)
0.7118	Intermediate Similarity	NPD5914	Approved
0.7115	Intermediate Similarity	NPD6228	Discontinued
0.7113	Intermediate Similarity	NPD5924	Discontinued
0.7112	Intermediate Similarity	NPD3394	Approved
0.7112	Intermediate Similarity	NPD3393	Approved
0.7112	Intermediate Similarity	NPD3389	Approved
0.7111	Intermediate Similarity	NPD2779	Approved
0.7105	Intermediate Similarity	NPD6593	Clinical (unspecified phase)
0.7105	Intermediate Similarity	NPD5863	Clinical (unspecified phase)
0.7094	Intermediate Similarity	NPD3258	Approved
0.7094	Intermediate Similarity	NPD7404	Approved
0.7094	Intermediate Similarity	NPD7194	Discontinued
0.7093	Intermediate Similarity	NPD5459	Phase 2
0.7087	Intermediate Similarity	NPD4502	Phase 2
0.7087	Intermediate Similarity	NPD7703	Clinical (unspecified phase)
0.7083	Intermediate Similarity	NPD7688	Phase 1
0.708	Intermediate Similarity	NPD2121	Clinical (unspecified phase)
0.7076	Intermediate Similarity	NPD6995	Phase 1
0.707	Intermediate Similarity	NPD4203	Approved
0.707	Intermediate Similarity	NPD4204	Approved
0.7064	Intermediate Similarity	NPD7858	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD5640	Discontinued
0.7056	Intermediate Similarity	NPD8358	Approved
0.7054	Intermediate Similarity	NPD4118	Clinical (unspecified phase)
0.7047	Intermediate Similarity	NPD5116	Phase 1
0.7047	Intermediate Similarity	NPD6531	Approved
0.7047	Intermediate Similarity	NPD6530	Approved
0.7033	Intermediate Similarity	NPD7022	Phase 2
0.7031	Intermediate Similarity	NPD4894	Discontinued
0.7031	Intermediate Similarity	NPD5658	Approved
0.7029	Intermediate Similarity	NPD4328	Approved
0.7028	Intermediate Similarity	NPD4369	Phase 2
0.7027	Intermediate Similarity	NPD3324	Clinical (unspecified phase)
0.7025	Intermediate Similarity	NPD6223	Clinical (unspecified phase)
0.7025	Intermediate Similarity	NPD5040	Clinical (unspecified phase)
0.7023	Intermediate Similarity	NPD6654	Clinical (unspecified phase)
0.7023	Intermediate Similarity	NPD6293	Clinical (unspecified phase)
0.7012	Intermediate Similarity	NPD1867	Approved
0.7012	Intermediate Similarity	NPD1505	Phase 2
0.7009	Intermediate Similarity	NPD7823	Clinical (unspecified phase)
0.7004	Intermediate Similarity	NPD5450	Discontinued
0.7	Intermediate Similarity	NPD3986	Discontinued
0.7	Intermediate Similarity	NPD5559	Phase 2
0.6996	Remote Similarity	NPD7872	Phase 2
0.6991	Remote Similarity	NPD6321	Discontinued
0.6986	Remote Similarity	NPD1033	Clinical (unspecified phase)
0.6986	Remote Similarity	NPD1034	Phase 3
0.6984	Remote Similarity	NPD2311	Clinical (unspecified phase)
0.6984	Remote Similarity	NPD4353	Phase 2
0.6983	Remote Similarity	NPD3815	Phase 1
0.6983	Remote Similarity	NPD7797	Approved
0.6983	Remote Similarity	NPD3816	Phase 1
0.6983	Remote Similarity	NPD7796	Approved
0.6976	Remote Similarity	NPD7921	Approved
0.6976	Remote Similarity	NPD7206	Clinical (unspecified phase)
0.6975	Remote Similarity	NPD7279	Phase 2
0.6975	Remote Similarity	NPD7278	Phase 2
0.6971	Remote Similarity	NPD7589	Clinical (unspecified phase)
0.6966	Remote Similarity	NPD6643	Discontinued
0.6964	Remote Similarity	NPD6769	Clinical (unspecified phase)
0.6964	Remote Similarity	NPD6988	Phase 1
0.6963	Remote Similarity	NPD5603	Clinical (unspecified phase)
0.6962	Remote Similarity	NPD4881	Clinical (unspecified phase)
0.696	Remote Similarity	NPD7013	Phase 3
0.696	Remote Similarity	NPD6172	Clinical (unspecified phase)
0.696	Remote Similarity	NPD7012	Phase 3
0.6957	Remote Similarity	NPD2510	Approved
0.6957	Remote Similarity	NPD2509	Approved
0.6955	Remote Similarity	NPD6494	Phase 2
0.6955	Remote Similarity	NPD6608	Clinical (unspecified phase)
0.6951	Remote Similarity	NPD7025	Clinical (unspecified phase)
0.6949	Remote Similarity	NPD3763	Approved
0.6949	Remote Similarity	NPD7203	Clinical (unspecified phase)
0.6949	Remote Similarity	NPD6770	Approved
0.6948	Remote Similarity	NPD8359	Phase 2
0.6947	Remote Similarity	NPD4500	Approved
0.6947	Remote Similarity	NPD4501	Approved
0.6946	Remote Similarity	NPD7586	Clinical (unspecified phase)
0.6943	Remote Similarity	NPD6245	Phase 2
0.6943	Remote Similarity	NPD5601	Phase 2
0.6943	Remote Similarity	NPD3003	Approved
0.694	Remote Similarity	NPD5475	Discontinued
0.6936	Remote Similarity	NPD5443	Clinical (unspecified phase)
0.6934	Remote Similarity	NPD7690	Clinical (unspecified phase)
0.6933	Remote Similarity	NPD7889	Clinical (unspecified phase)
0.6932	Remote Similarity	NPD6475	Phase 2
0.6923	Remote Similarity	NPD5902	Approved
0.6923	Remote Similarity	NPD5903	Approved
0.6917	Remote Similarity	NPD7603	Discontinued
0.6914	Remote Similarity	NPD5867	Clinical (unspecified phase)
0.6914	Remote Similarity	NPD5151	Clinical (unspecified phase)
0.6914	Remote Similarity	NPD3746	Discontinued

Structure

NPC329631 OpenBabel07101718182D 32 37 0 0 1 0 0 0 0 0999 V2000 -0.4612 1.7213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9128 1.8364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0468 2.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1808 -1.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8383 -2.3523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9128 0.8364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0468 -0.6636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1808 1.8364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3147 -0.6636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1473 -1.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8601 -2.5602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7052 -0.7660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1409 0.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -1.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1088 0.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4713 0.4496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0438 -1.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6691 0.7431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0468 0.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7695 -0.2628 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1808 0.8364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3147 0.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4781 -0.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1910 -1.8171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5827 0.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4487 0.8364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4391 0.1980 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4487 1.8364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3748 -0.3052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6163 -1.7200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 8 1 0 0 0 0 4 7 2 0 0 0 0 4 9 1 0 0 0 0 5 10 2 0 0 0 0 5 11 1 0 0 0 0 6 19 2 0 0 0 0 7 19 1 0 0 0 0 8 21 2 0 0 0 0 9 22 2 0 0 0 0 10 23 1 0 0 0 0 11 24 2 0 0 0 0 12 14 1 0 0 0 0 12 28 1 0 0 0 0 13 15 1 0 0 0 0 13 28 1 0 0 0 0 14 31 1 0 0 0 0 15 31 1 0 0 0 0 16 28 1 0 0 0 0 17 20 1 0 0 0 0 17 32 1 0 0 0 0 18 25 2 0 0 0 0 18 29 1 0 0 0 0 19 21 1 0 0 0 0 20 16 1 6 0 0 0 20 29 1 0 0 0 0 21 22 1 0 0 0 0 22 27 1 0 0 0 0 23 25 1 0 0 0 0 23 26 2 0 0 0 0 24 26 1 0 0 0 0 24 32 1 0 0 0 0 25 27 1 0 0 0 0 26 29 1 0 0 0 0 27 30 2 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	5311501
ChEMBL	CHEMBL188
ZINC

Physicochemical Properties

Molecular Weight:	426.19
ALogP:	-0.0869
MLogP:	3.88
XLogP:	5.935
# Rotatable Bonds:	5
Polar Surface Area:	43.7
# H-Bond Aceptor:	4
# H-Bond Donor:	0
# Rings:	6
# Heavy Atoms:	32

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