NPASS Natural Product

Natural Product: NPC241657

Natural Product ID:	NPC241657
Common Name:	Glaucogenin C
IUPAC Name:
Synonyms:	Glaucogenin C
Molecular Formula:	C21H28O5
Standard InCHIKey:	ZCEYOMXMDDYIQP-ZYQXTWTMSA-N
Standard InCHI:	InChI=1S/C21H28O5/c1-20-8-7-14(22)9-13(20)4-5-15-16(20)6-3-12-10-24-21(2)18(12)17(11-25-21)26-19(15)23/h4,10,14-18,22H,3,5-9,11H2,1-2H3/t14-,15+,16-,17?,18+,20-,21-/m0/s1
Canonical SMILES:	O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CCC2=CO[C@@]4([C@H]2C(OC3=O)CO4)C)C1)C
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
NPO29042	Vincetoxicum atratum	Species	Apocynaceae	Eukaryota				TM-MC*
NPO842	Vincetoxicum versicolor	Species	Apocynaceae	Eukaryota				TM-MC*

Biological Activity

Activity Type	# Activity
IC50	1
Others	10

Activity Type	# Activity
Organism	11

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT786	Organism	Tobacco mosaic virus	Tobacco mosaic virus	IC50	=	17	nM	17470783
NPT786	Organism	Tobacco mosaic virus	Tobacco mosaic virus	Activity	=	2.1	mm	17470783
NPT786	Organism	Tobacco mosaic virus	Tobacco mosaic virus	Activity	=	1.9	mm	17470783
NPT786	Organism	Tobacco mosaic virus	Tobacco mosaic virus	Activity	=	1.5	mm	17470783
NPT786	Organism	Tobacco mosaic virus	Tobacco mosaic virus	Activity	=	1.3	mm	17470783
NPT786	Organism	Tobacco mosaic virus	Tobacco mosaic virus	Activity	=	0	mm	17470783
NPT786	Organism	Tobacco mosaic virus	Tobacco mosaic virus	Inhibition	=	17	%	17470783
NPT786	Organism	Tobacco mosaic virus	Tobacco mosaic virus	Inhibition	=	60	%	17470783
NPT786	Organism	Tobacco mosaic virus	Tobacco mosaic virus	Inhibition	=	79	%	17470783
NPT786	Organism	Tobacco mosaic virus	Tobacco mosaic virus	Inhibition	=	85	%	17470783
NPT786	Organism	Tobacco mosaic virus	Tobacco mosaic virus	Inhibition	=	100	%	17470783

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 NPC241657 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	129
0.1-0.2	674
0.2-0.3	2653
0.3-0.4	6009
0.4-0.5	10064
0.5-0.6	4509
0.6-0.7	5327
0.7-0.8	1516
0.8-0.85	6
0.85-0.9	1
0.9-0.95	1
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.901	High Similarity	NPC127153
0.8585	High Similarity	NPC189126
0.8191	Intermediate Similarity	NPC6979
0.8173	Intermediate Similarity	NPC293512
0.8085	Intermediate Similarity	NPC329738
0.8065	Intermediate Similarity	NPC470948
0.8056	Intermediate Similarity	NPC474410
0.8056	Intermediate Similarity	NPC293658
0.7959	Intermediate Similarity	NPC141831
0.7944	Intermediate Similarity	NPC101450
0.7925	Intermediate Similarity	NPC295389
0.7917	Intermediate Similarity	NPC167877
0.79	Intermediate Similarity	NPC286612
0.79	Intermediate Similarity	NPC275310
0.79	Intermediate Similarity	NPC230347
0.7857	Intermediate Similarity	NPC281942
0.7857	Intermediate Similarity	NPC232426
0.785	Intermediate Similarity	NPC472534
0.785	Intermediate Similarity	NPC143706
0.7849	Intermediate Similarity	NPC473420
0.7835	Intermediate Similarity	NPC309656
0.7812	Intermediate Similarity	NPC473226
0.781	Intermediate Similarity	NPC472228
0.781	Intermediate Similarity	NPC100955
0.781	Intermediate Similarity	NPC121566
0.781	Intermediate Similarity	NPC472227
0.7789	Intermediate Similarity	NPC319238
0.7778	Intermediate Similarity	NPC233345
0.7778	Intermediate Similarity	NPC186363
0.7757	Intermediate Similarity	NPC258323
0.7745	Intermediate Similarity	NPC158347
0.7736	Intermediate Similarity	NPC95243
0.7736	Intermediate Similarity	NPC127609
0.7736	Intermediate Similarity	NPC63023
0.7736	Intermediate Similarity	NPC252296
0.7736	Intermediate Similarity	NPC162033
0.7732	Intermediate Similarity	NPC477926
0.7717	Intermediate Similarity	NPC35574
0.7708	Intermediate Similarity	NPC476602
0.7706	Intermediate Similarity	NPC201992
0.77	Intermediate Similarity	NPC470656
0.77	Intermediate Similarity	NPC267266
0.77	Intermediate Similarity	NPC277721
0.77	Intermediate Similarity	NPC470224
0.7685	Intermediate Similarity	NPC118225
0.7685	Intermediate Similarity	NPC265655
0.7677	Intermediate Similarity	NPC469403
0.7677	Intermediate Similarity	NPC472307
0.7677	Intermediate Similarity	NPC44240
0.767	Intermediate Similarity	NPC216478
0.767	Intermediate Similarity	NPC164349
0.7664	Intermediate Similarity	NPC283849
0.7664	Intermediate Similarity	NPC473538
0.7664	Intermediate Similarity	NPC59530
0.7664	Intermediate Similarity	NPC184512
0.766	Intermediate Similarity	NPC327002
0.7642	Intermediate Similarity	NPC471293
0.7642	Intermediate Similarity	NPC223741
0.7636	Intermediate Similarity	NPC11252
0.7636	Intermediate Similarity	NPC289312
0.7636	Intermediate Similarity	NPC302146
0.7634	Intermediate Similarity	NPC327674
0.7629	Intermediate Similarity	NPC325594
0.7629	Intermediate Similarity	NPC155011
0.7629	Intermediate Similarity	NPC73038
0.7624	Intermediate Similarity	NPC474554
0.7619	Intermediate Similarity	NPC471363
0.7619	Intermediate Similarity	NPC238397
0.7615	Intermediate Similarity	NPC119550
0.7615	Intermediate Similarity	NPC239097
0.7615	Intermediate Similarity	NPC129340
0.7615	Intermediate Similarity	NPC274507
0.7604	Intermediate Similarity	NPC100391
0.76	Intermediate Similarity	NPC165904
0.76	Intermediate Similarity	NPC179517
0.76	Intermediate Similarity	NPC474631
0.76	Intermediate Similarity	NPC26888
0.7596	Intermediate Similarity	NPC472644
0.7596	Intermediate Similarity	NPC167974
0.7596	Intermediate Similarity	NPC474012
0.7596	Intermediate Similarity	NPC476299
0.7593	Intermediate Similarity	NPC476123
0.7593	Intermediate Similarity	NPC217921
0.7593	Intermediate Similarity	NPC177246
0.7593	Intermediate Similarity	NPC135015
0.7593	Intermediate Similarity	NPC195708
0.7593	Intermediate Similarity	NPC128795
0.7593	Intermediate Similarity	NPC48548
0.7593	Intermediate Similarity	NPC284807
0.7593	Intermediate Similarity	NPC28198
0.7579	Intermediate Similarity	NPC73882
0.7576	Intermediate Similarity	NPC77001
0.7576	Intermediate Similarity	NPC5509
0.7576	Intermediate Similarity	NPC474704
0.7576	Intermediate Similarity	NPC475921
0.7576	Intermediate Similarity	NPC253618
0.757	Intermediate Similarity	NPC475611
0.757	Intermediate Similarity	NPC102352
0.757	Intermediate Similarity	NPC210178
0.757	Intermediate Similarity	NPC173172
0.757	Intermediate Similarity	NPC471332
0.757	Intermediate Similarity	NPC475414
0.757	Intermediate Similarity	NPC471333
0.7568	Intermediate Similarity	NPC51978
0.7568	Intermediate Similarity	NPC251309
0.7551	Intermediate Similarity	NPC312561
0.7549	Intermediate Similarity	NPC469599
0.7549	Intermediate Similarity	NPC183012
0.7549	Intermediate Similarity	NPC32118
0.7549	Intermediate Similarity	NPC108141
0.7547	Intermediate Similarity	NPC475889
0.7547	Intermediate Similarity	NPC127933
0.7547	Intermediate Similarity	NPC134270
0.7547	Intermediate Similarity	NPC7613
0.7547	Intermediate Similarity	NPC7644
0.7545	Intermediate Similarity	NPC191763
0.7545	Intermediate Similarity	NPC108748
0.7545	Intermediate Similarity	NPC473481
0.7545	Intermediate Similarity	NPC235841
0.7545	Intermediate Similarity	NPC263827
0.7545	Intermediate Similarity	NPC211798
0.7545	Intermediate Similarity	NPC292196
0.7545	Intermediate Similarity	NPC297208
0.7545	Intermediate Similarity	NPC250481
0.7545	Intermediate Similarity	NPC30397
0.7545	Intermediate Similarity	NPC285410
0.7527	Intermediate Similarity	NPC321514
0.7526	Intermediate Similarity	NPC52628
0.7525	Intermediate Similarity	NPC115021
0.7525	Intermediate Similarity	NPC229281
0.7525	Intermediate Similarity	NPC86368
0.7525	Intermediate Similarity	NPC166346
0.7525	Intermediate Similarity	NPC49776
0.7525	Intermediate Similarity	NPC156553
0.7525	Intermediate Similarity	NPC139692
0.7525	Intermediate Similarity	NPC474436
0.7525	Intermediate Similarity	NPC63118
0.7524	Intermediate Similarity	NPC54909
0.7524	Intermediate Similarity	NPC121072
0.7524	Intermediate Similarity	NPC233012
0.7524	Intermediate Similarity	NPC21064
0.7524	Intermediate Similarity	NPC472643
0.7523	Intermediate Similarity	NPC57362
0.7523	Intermediate Similarity	NPC167383
0.7523	Intermediate Similarity	NPC40728
0.7523	Intermediate Similarity	NPC204407
0.7523	Intermediate Similarity	NPC127853
0.7523	Intermediate Similarity	NPC316974
0.7523	Intermediate Similarity	NPC218853
0.7523	Intermediate Similarity	NPC237503
0.7523	Intermediate Similarity	NPC306746
0.7523	Intermediate Similarity	NPC137917
0.75	Intermediate Similarity	NPC159876
0.75	Intermediate Similarity	NPC469877
0.75	Intermediate Similarity	NPC111110
0.75	Intermediate Similarity	NPC111585
0.75	Intermediate Similarity	NPC187435
0.75	Intermediate Similarity	NPC175628
0.75	Intermediate Similarity	NPC18547
0.75	Intermediate Similarity	NPC474728
0.75	Intermediate Similarity	NPC471896
0.75	Intermediate Similarity	NPC473882
0.75	Intermediate Similarity	NPC148414
0.75	Intermediate Similarity	NPC287236
0.75	Intermediate Similarity	NPC470589
0.75	Intermediate Similarity	NPC474906
0.75	Intermediate Similarity	NPC125423
0.75	Intermediate Similarity	NPC470919
0.75	Intermediate Similarity	NPC230541
0.75	Intermediate Similarity	NPC67321
0.75	Intermediate Similarity	NPC88013
0.75	Intermediate Similarity	NPC3316
0.75	Intermediate Similarity	NPC475176
0.75	Intermediate Similarity	NPC130278
0.75	Intermediate Similarity	NPC222303
0.75	Intermediate Similarity	NPC15059
0.75	Intermediate Similarity	NPC126369
0.75	Intermediate Similarity	NPC144854
0.7477	Intermediate Similarity	NPC201880
0.7477	Intermediate Similarity	NPC116794
0.7477	Intermediate Similarity	NPC264867
0.7477	Intermediate Similarity	NPC128925
0.7477	Intermediate Similarity	NPC470321
0.7477	Intermediate Similarity	NPC37739
0.7477	Intermediate Similarity	NPC256798
0.7477	Intermediate Similarity	NPC258532
0.7477	Intermediate Similarity	NPC233003
0.7477	Intermediate Similarity	NPC31430
0.7477	Intermediate Similarity	NPC473207
0.7477	Intermediate Similarity	NPC81567
0.7477	Intermediate Similarity	NPC46388
0.7477	Intermediate Similarity	NPC85593
0.7476	Intermediate Similarity	NPC173744
0.7476	Intermediate Similarity	NPC469369
0.7476	Intermediate Similarity	NPC17578
0.7476	Intermediate Similarity	NPC240673
0.7476	Intermediate Similarity	NPC469528
0.7476	Intermediate Similarity	NPC120708
0.7476	Intermediate Similarity	NPC73004
0.7476	Intermediate Similarity	NPC472733

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC241657 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	136
0.1-0.2	1124
0.2-0.3	3555
0.3-0.4	2842
0.4-0.5	916
0.5-0.6	322
0.6-0.7	239
0.7-0.8	27
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.77	Intermediate Similarity	NPD6399	Phase 3
0.7431	Intermediate Similarity	NPD6686	Approved
0.7396	Intermediate Similarity	NPD3667	Approved
0.7339	Intermediate Similarity	NPD6412	Phase 2
0.7245	Intermediate Similarity	NPD4786	Approved
0.717	Intermediate Similarity	NPD4225	Approved
0.7168	Intermediate Similarity	NPD6882	Approved
0.7117	Intermediate Similarity	NPD7320	Approved
0.7115	Intermediate Similarity	NPD7748	Approved
0.7091	Intermediate Similarity	NPD6675	Approved
0.7091	Intermediate Similarity	NPD6402	Approved
0.7091	Intermediate Similarity	NPD5739	Approved
0.7091	Intermediate Similarity	NPD7128	Approved
0.7087	Intermediate Similarity	NPD7515	Phase 2
0.7087	Intermediate Similarity	NPD6411	Approved
0.7083	Intermediate Similarity	NPD7492	Approved
0.7075	Intermediate Similarity	NPD6084	Phase 2
0.7075	Intermediate Similarity	NPD6083	Phase 2
0.7075	Intermediate Similarity	NPD7902	Approved
0.7054	Intermediate Similarity	NPD8132	Clinical (unspecified phase)
0.7048	Intermediate Similarity	NPD5695	Phase 3
0.7034	Intermediate Similarity	NPD6054	Approved
0.7034	Intermediate Similarity	NPD6059	Approved
0.7027	Intermediate Similarity	NPD5701	Approved
0.7027	Intermediate Similarity	NPD5697	Approved
0.7025	Intermediate Similarity	NPD6616	Approved
0.7018	Intermediate Similarity	NPD8297	Approved
0.6975	Remote Similarity	NPD6016	Approved
0.6975	Remote Similarity	NPD6015	Approved
0.6967	Remote Similarity	NPD8293	Discontinued
0.6967	Remote Similarity	NPD7078	Approved
0.6964	Remote Similarity	NPD6899	Approved
0.6964	Remote Similarity	NPD6881	Approved
0.6961	Remote Similarity	NPD6903	Approved
0.6931	Remote Similarity	NPD7521	Approved
0.6931	Remote Similarity	NPD3618	Phase 1
0.6931	Remote Similarity	NPD7334	Approved
0.6931	Remote Similarity	NPD6684	Approved
0.6931	Remote Similarity	NPD7146	Approved
0.6931	Remote Similarity	NPD6409	Approved
0.6931	Remote Similarity	NPD5330	Approved
0.6923	Remote Similarity	NPD6009	Approved
0.6917	Remote Similarity	NPD5988	Approved
0.6917	Remote Similarity	NPD6370	Approved
0.6911	Remote Similarity	NPD7736	Approved
0.6903	Remote Similarity	NPD6012	Approved
0.6903	Remote Similarity	NPD6013	Approved
0.6903	Remote Similarity	NPD6373	Approved
0.6903	Remote Similarity	NPD4061	Clinical (unspecified phase)
0.6903	Remote Similarity	NPD6372	Approved
0.6903	Remote Similarity	NPD6014	Approved
0.69	Remote Similarity	NPD3666	Approved
0.69	Remote Similarity	NPD3668	Phase 3
0.69	Remote Similarity	NPD3665	Phase 1
0.69	Remote Similarity	NPD3133	Approved
0.6893	Remote Similarity	NPD5764	Clinical (unspecified phase)
0.6893	Remote Similarity	NPD6101	Approved
0.6885	Remote Similarity	NPD7507	Approved
0.6869	Remote Similarity	NPD4752	Clinical (unspecified phase)
0.6852	Remote Similarity	NPD5696	Approved
0.6842	Remote Similarity	NPD7290	Approved
0.6842	Remote Similarity	NPD7102	Approved
0.6842	Remote Similarity	NPD6883	Approved
0.6814	Remote Similarity	NPD6011	Approved
0.68	Remote Similarity	NPD7154	Phase 3
0.6796	Remote Similarity	NPD7513	Clinical (unspecified phase)
0.6796	Remote Similarity	NPD6672	Approved
0.6796	Remote Similarity	NPD5737	Approved
0.6792	Remote Similarity	NPD5282	Discontinued
0.6792	Remote Similarity	NPD7900	Approved
0.6792	Remote Similarity	NPD7901	Clinical (unspecified phase)
0.6786	Remote Similarity	NPD6008	Approved
0.6783	Remote Similarity	NPD8130	Phase 1
0.6783	Remote Similarity	NPD6847	Approved
0.6783	Remote Similarity	NPD6650	Approved
0.6783	Remote Similarity	NPD6869	Approved
0.6783	Remote Similarity	NPD6649	Approved
0.6783	Remote Similarity	NPD6617	Approved
0.678	Remote Similarity	NPD7115	Discovery
0.678	Remote Similarity	NPD8295	Clinical (unspecified phase)
0.6762	Remote Similarity	NPD8034	Phase 2
0.6762	Remote Similarity	NPD8035	Phase 2
0.6759	Remote Similarity	NPD4755	Approved
0.6731	Remote Similarity	NPD4753	Phase 2
0.6731	Remote Similarity	NPD5328	Approved
0.6729	Remote Similarity	NPD1698	Clinical (unspecified phase)
0.6724	Remote Similarity	NPD6053	Discontinued
0.6721	Remote Similarity	NPD8328	Phase 3
0.6721	Remote Similarity	NPD6067	Discontinued
0.672	Remote Similarity	NPD7319	Approved
0.6698	Remote Similarity	NPD4202	Approved
0.6698	Remote Similarity	NPD5779	Approved
0.6698	Remote Similarity	NPD5778	Approved
0.6697	Remote Similarity	NPD7638	Approved
0.6696	Remote Similarity	NPD5955	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD7520	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD4695	Discontinued
0.6667	Remote Similarity	NPD4632	Approved
0.6667	Remote Similarity	NPD8133	Approved
0.6638	Remote Similarity	NPD6401	Clinical (unspecified phase)
0.6636	Remote Similarity	NPD4696	Approved
0.6636	Remote Similarity	NPD7639	Approved
0.6636	Remote Similarity	NPD5285	Approved
0.6636	Remote Similarity	NPD7640	Approved
0.6636	Remote Similarity	NPD5286	Approved
0.6636	Remote Similarity	NPD4700	Approved
0.6612	Remote Similarity	NPD6319	Approved
0.6604	Remote Similarity	NPD6079	Approved
0.6604	Remote Similarity	NPD5281	Approved
0.6604	Remote Similarity	NPD5284	Approved
0.6602	Remote Similarity	NPD4249	Approved
0.6602	Remote Similarity	NPD5279	Phase 3
0.6598	Remote Similarity	NPD3701	Clinical (unspecified phase)
0.6583	Remote Similarity	NPD7328	Approved
0.6583	Remote Similarity	NPD7327	Approved
0.6574	Remote Similarity	NPD6356	Clinical (unspecified phase)
0.6571	Remote Similarity	NPD7285	Clinical (unspecified phase)
0.6569	Remote Similarity	NPD6400	Clinical (unspecified phase)
0.6557	Remote Similarity	NPD8033	Approved
0.6555	Remote Similarity	NPD6274	Approved
0.6538	Remote Similarity	NPD4251	Approved
0.6538	Remote Similarity	NPD4250	Approved
0.6535	Remote Similarity	NPD6435	Approved
0.6529	Remote Similarity	NPD7516	Approved
0.6518	Remote Similarity	NPD5224	Approved
0.6518	Remote Similarity	NPD5211	Phase 2
0.6518	Remote Similarity	NPD5225	Approved
0.6518	Remote Similarity	NPD5226	Approved
0.6518	Remote Similarity	NPD4633	Approved
0.6514	Remote Similarity	NPD5221	Approved
0.6514	Remote Similarity	NPD4697	Phase 3
0.6514	Remote Similarity	NPD5222	Approved
0.6514	Remote Similarity	NPD5220	Clinical (unspecified phase)
0.6509	Remote Similarity	NPD6698	Approved
0.6509	Remote Similarity	NPD46	Approved
0.6509	Remote Similarity	NPD5207	Approved
0.6508	Remote Similarity	NPD6033	Approved
0.6505	Remote Similarity	NPD1694	Approved
0.6496	Remote Similarity	NPD8413	Clinical (unspecified phase)
0.6495	Remote Similarity	NPD7339	Approved
0.6495	Remote Similarity	NPD6942	Approved
0.6475	Remote Similarity	NPD8294	Approved
0.6475	Remote Similarity	NPD8377	Approved
0.6471	Remote Similarity	NPD5362	Discontinued
0.646	Remote Similarity	NPD5175	Approved
0.646	Remote Similarity	NPD5174	Approved
0.6455	Remote Similarity	NPD5173	Approved
0.6449	Remote Similarity	NPD7637	Suspended
0.6442	Remote Similarity	NPD6098	Approved
0.6435	Remote Similarity	NPD5954	Clinical (unspecified phase)
0.6429	Remote Similarity	NPD5223	Approved
0.6423	Remote Similarity	NPD8515	Approved
0.6423	Remote Similarity	NPD8517	Approved
0.6423	Remote Similarity	NPD6291	Clinical (unspecified phase)
0.6423	Remote Similarity	NPD8380	Approved
0.6423	Remote Similarity	NPD8335	Approved
0.6423	Remote Similarity	NPD7503	Approved
0.6423	Remote Similarity	NPD5983	Phase 2
0.6423	Remote Similarity	NPD8378	Approved
0.6423	Remote Similarity	NPD8516	Approved
0.6423	Remote Similarity	NPD8379	Approved
0.6423	Remote Similarity	NPD8296	Approved
0.6423	Remote Similarity	NPD8513	Phase 3
0.6422	Remote Similarity	NPD5210	Approved
0.6422	Remote Similarity	NPD4629	Approved
0.6415	Remote Similarity	NPD6904	Approved
0.6415	Remote Similarity	NPD6080	Approved
0.6415	Remote Similarity	NPD6673	Approved
0.6406	Remote Similarity	NPD5956	Approved
0.6404	Remote Similarity	NPD5141	Approved
0.64	Remote Similarity	NPD7645	Phase 2
0.6393	Remote Similarity	NPD7100	Approved
0.6393	Remote Similarity	NPD7101	Approved
0.6381	Remote Similarity	NPD3573	Approved
0.6373	Remote Similarity	NPD4223	Phase 3
0.6373	Remote Similarity	NPD4221	Approved
0.6364	Remote Similarity	NPD6317	Approved
0.6355	Remote Similarity	NPD5692	Phase 3
0.6348	Remote Similarity	NPD4767	Approved
0.6348	Remote Similarity	NPD4768	Approved
0.6337	Remote Similarity	NPD7525	Registered
0.6337	Remote Similarity	NPD5368	Approved
0.6337	Remote Similarity	NPD5790	Clinical (unspecified phase)
0.633	Remote Similarity	NPD6001	Approved
0.6321	Remote Similarity	NPD5208	Approved
0.632	Remote Similarity	NPD7604	Phase 2
0.632	Remote Similarity	NPD7122	Discontinued
0.6316	Remote Similarity	NPD4754	Approved
0.6311	Remote Similarity	NPD6335	Approved
0.6311	Remote Similarity	NPD6313	Approved
0.6311	Remote Similarity	NPD6314	Approved
0.63	Remote Similarity	NPD3617	Approved
0.63	Remote Similarity	NPD5784	Clinical (unspecified phase)
0.6296	Remote Similarity	NPD7983	Approved
0.6296	Remote Similarity	NPD6050	Approved
0.6296	Remote Similarity	NPD5694	Approved
0.6296	Remote Similarity	NPD5693	Phase 1
0.629	Remote Similarity	NPD6909	Approved
0.629	Remote Similarity	NPD6908	Approved
0.6281	Remote Similarity	NPD6868	Approved

Structure

CID241657 OpenBabel06191716042D 26 30 0 0 1 0 0 0 0 0999 V2000 3.1570 -2.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8509 -0.9388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3071 -2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6752 -0.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0529 -0.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9943 -1.9064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6618 -2.7756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0395 -2.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2930 -1.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8150 -2.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8076 0.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6227 -1.8980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6707 -1.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2885 -2.4189 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4262 -0.6046 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4217 -1.3257 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6344 -0.0101 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6285 -0.9542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0060 -0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0440 -1.6901 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0058 -0.9441 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1692 -2.9347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6110 0.8034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0117 -1.8879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3215 0.2085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 6 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 13 2 0 0 0 0 6 16 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 8 20 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 10 12 2 0 0 0 0 10 24 1 0 0 0 0 11 17 1 0 0 0 0 11 25 1 0 0 0 0 12 18 1 0 0 0 0 13 20 1 0 0 0 0 14 22 1 1 0 0 0 15 5 1 6 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 26 1 0 0 0 0 18 21 1 1 0 0 0 19 23 2 0 0 0 0 19 26 1 0 0 0 0 20 1 1 1 0 0 0 21 2 1 6 0 0 0 21 24 1 0 0 0 0 21 25 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	44584797
ChEMBL	CHEMBL477935
ZINC

Physicochemical Properties

Molecular Weight:	360.19
ALogP:	-0.8498
MLogP:	3.22
XLogP:	1.783
# Rotatable Bonds:	3
Polar Surface Area:	64.99
# H-Bond Aceptor:	5
# H-Bond Donor:	1
# Rings:	5
# Heavy Atoms:	26

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