NPASS Natural Product

Natural Product: NPC192329

Natural Product ID:	NPC192329
Common Name:	Ent-16-Nor-5Alpha,13Alpha(Methyl)-2-Oxodolabra-3-En-3-Ol-15-Oic Acid
IUPAC Name:	(2S,4aS,4bR,8aS,10aS)-7-hydroxy-2,4a,8,8a-tetramethyl-6-oxo-1,3,4,4b,5,9,10,10a-octahydrophenanthrene-2-carboxylic acid
Synonyms:
Molecular Formula:	C19H28O4
Standard InCHIKey:	LPHDABIHBXFBNX-KRJMWWHISA-N
Standard InCHI:	InChI=1S/C19H28O4/c1-11-15(21)13(20)9-14-18(11,3)6-5-12-10-17(2,16(22)23)7-8-19(12,14)4/h12,14,21H,5-10H2,1-4H3,(H,22,23)/t12-,14-,17-,18+,19-/m0/s1
Canonical SMILES:	OC1=C(C)[C@@]2([C@H](CC1=O)[C@@]1(C)CC[C@](C[C@@H]1CC2)(C)C(=O)O)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
NPO9878	Dichapetalum gelonioides	Species	Dichapetalaceae	Eukaryota	Stem barks	Philippines		PMID[16562829]

Biological Activity

Activity Type	# Activity
ED50	9

Activity Type	# Activity
Cell Line	8
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT1034	Cell Line	Lu1	Homo sapiens	ED50	>	20	ug/ml	PubChem BioAssay data set
NPT2	Others	Unspecified		ED50	=	12.2	ug/ml	PubChem BioAssay data set
NPT91	Cell Line	KB	Homo sapiens	ED50	>	20	ug/ml	22194678
NPT2345	Cell Line	SW626	Homo sapiens	ED50	=	15.8	ug/ml	11170674
NPT1851	Cell Line	Col2	Homo sapiens	ED50	=	11.2	ug/ml	PubChem BioAssay data set
NPT858	Cell Line	LNCaP	Homo sapiens	ED50	=	10.8	ug/ml	18407693
NPT136	Cell Line	SK-N-SH	Homo sapiens	ED50	=	10.4	ug/ml	21078949
NPT91	Cell Line	KB	Homo sapiens	ED50	=	16.2	ug/ml	PubChem BioAssay data set
NPT91	Cell Line	KB	Homo sapiens	ED50	>	20	ug/ml	12646019

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 NPC192329 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	109
0.1-0.2	822
0.2-0.3	3723
0.3-0.4	9803
0.4-0.5	7270
0.5-0.6	4793
0.6-0.7	3107
0.7-0.8	1133
0.8-0.85	107
0.85-0.9	17
0.9-0.95	5
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9481	High Similarity	NPC105803
0.9241	High Similarity	NPC474680
0.9079	High Similarity	NPC476808
0.9079	High Similarity	NPC30321
0.9067	High Similarity	NPC92080
0.8974	High Similarity	NPC278459
0.8947	High Similarity	NPC165711
0.8846	High Similarity	NPC18955
0.8816	High Similarity	NPC180886
0.8795	High Similarity	NPC112454
0.8734	High Similarity	NPC471898
0.8734	High Similarity	NPC55869
0.869	High Similarity	NPC252737
0.8659	High Similarity	NPC229717
0.8642	High Similarity	NPC96095
0.8608	High Similarity	NPC108955
0.859	High Similarity	NPC74410
0.8588	High Similarity	NPC174167
0.8588	High Similarity	NPC470036
0.8537	High Similarity	NPC241512
0.8537	High Similarity	NPC6185
0.8519	High Similarity	NPC53733
0.8488	Intermediate Similarity	NPC263780
0.8462	Intermediate Similarity	NPC472300
0.8442	Intermediate Similarity	NPC279666
0.8442	Intermediate Similarity	NPC192540
0.8442	Intermediate Similarity	NPC175079
0.8395	Intermediate Similarity	NPC320514
0.8395	Intermediate Similarity	NPC103486
0.8395	Intermediate Similarity	NPC238991
0.8395	Intermediate Similarity	NPC302661
0.8375	Intermediate Similarity	NPC26139
0.8375	Intermediate Similarity	NPC37038
0.8375	Intermediate Similarity	NPC474956
0.8354	Intermediate Similarity	NPC260385
0.8354	Intermediate Similarity	NPC110094
0.8354	Intermediate Similarity	NPC280654
0.8354	Intermediate Similarity	NPC476810
0.8333	Intermediate Similarity	NPC69143
0.8333	Intermediate Similarity	NPC89294
0.8333	Intermediate Similarity	NPC136948
0.8313	Intermediate Similarity	NPC132228
0.8313	Intermediate Similarity	NPC473038
0.8313	Intermediate Similarity	NPC263997
0.8313	Intermediate Similarity	NPC474537
0.8313	Intermediate Similarity	NPC29447
0.8313	Intermediate Similarity	NPC8518
0.8312	Intermediate Similarity	NPC241854
0.8312	Intermediate Similarity	NPC103958
0.8312	Intermediate Similarity	NPC283908
0.8312	Intermediate Similarity	NPC476046
0.8312	Intermediate Similarity	NPC183503
0.8312	Intermediate Similarity	NPC251970
0.8312	Intermediate Similarity	NPC161923
0.8295	Intermediate Similarity	NPC777
0.8295	Intermediate Similarity	NPC147232
0.8293	Intermediate Similarity	NPC168188
0.8293	Intermediate Similarity	NPC258985
0.8293	Intermediate Similarity	NPC49019
0.8293	Intermediate Similarity	NPC102197
0.8293	Intermediate Similarity	NPC470015
0.8276	Intermediate Similarity	NPC271652
0.8272	Intermediate Similarity	NPC477372
0.8272	Intermediate Similarity	NPC267691
0.8272	Intermediate Similarity	NPC162632
0.8272	Intermediate Similarity	NPC274050
0.8272	Intermediate Similarity	NPC147066
0.8272	Intermediate Similarity	NPC263272
0.8272	Intermediate Similarity	NPC225515
0.8272	Intermediate Similarity	NPC90055
0.825	Intermediate Similarity	NPC199595
0.825	Intermediate Similarity	NPC231431
0.8235	Intermediate Similarity	NPC48107
0.8228	Intermediate Similarity	NPC97377
0.8228	Intermediate Similarity	NPC476811
0.8228	Intermediate Similarity	NPC471897
0.8228	Intermediate Similarity	NPC61952
0.8228	Intermediate Similarity	NPC471899
0.8228	Intermediate Similarity	NPC107039
0.8214	Intermediate Similarity	NPC475181
0.8193	Intermediate Similarity	NPC209882
0.8193	Intermediate Similarity	NPC237712
0.8193	Intermediate Similarity	NPC144258
0.8171	Intermediate Similarity	NPC69101
0.8171	Intermediate Similarity	NPC251779
0.8148	Intermediate Similarity	NPC2482
0.8148	Intermediate Similarity	NPC104545
0.8148	Intermediate Similarity	NPC477057
0.8148	Intermediate Similarity	NPC476809
0.814	Intermediate Similarity	NPC262043
0.814	Intermediate Similarity	NPC65615
0.814	Intermediate Similarity	NPC477973
0.814	Intermediate Similarity	NPC68148
0.8125	Intermediate Similarity	NPC189485
0.8125	Intermediate Similarity	NPC198240
0.8125	Intermediate Similarity	NPC321514
0.8118	Intermediate Similarity	NPC220930
0.8118	Intermediate Similarity	NPC272039
0.8118	Intermediate Similarity	NPC476409
0.8101	Intermediate Similarity	NPC309399
0.8095	Intermediate Similarity	NPC90287
0.8095	Intermediate Similarity	NPC311702
0.8095	Intermediate Similarity	NPC123319
0.8095	Intermediate Similarity	NPC94531
0.8072	Intermediate Similarity	NPC70834
0.8052	Intermediate Similarity	NPC160817
0.8049	Intermediate Similarity	NPC121984
0.8049	Intermediate Similarity	NPC201912
0.8049	Intermediate Similarity	NPC44963
0.8049	Intermediate Similarity	NPC38350
0.8049	Intermediate Similarity	NPC221647
0.8049	Intermediate Similarity	NPC472684
0.8049	Intermediate Similarity	NPC142244
0.8046	Intermediate Similarity	NPC474209
0.8046	Intermediate Similarity	NPC475823
0.8046	Intermediate Similarity	NPC46441
0.8025	Intermediate Similarity	NPC27817
0.8025	Intermediate Similarity	NPC475681
0.8025	Intermediate Similarity	NPC16394
0.8025	Intermediate Similarity	NPC477371
0.8023	Intermediate Similarity	NPC307298
0.8023	Intermediate Similarity	NPC230387
0.8023	Intermediate Similarity	NPC72397
0.8	Intermediate Similarity	NPC471035
0.8	Intermediate Similarity	NPC327115
0.8	Intermediate Similarity	NPC322159
0.8	Intermediate Similarity	NPC94666
0.8	Intermediate Similarity	NPC212661
0.8	Intermediate Similarity	NPC56588
0.7976	Intermediate Similarity	NPC156981
0.7976	Intermediate Similarity	NPC248758
0.7975	Intermediate Similarity	NPC476795
0.7975	Intermediate Similarity	NPC201027
0.7975	Intermediate Similarity	NPC469803
0.7955	Intermediate Similarity	NPC65120
0.7955	Intermediate Similarity	NPC474525
0.7955	Intermediate Similarity	NPC233455
0.7955	Intermediate Similarity	NPC4036
0.7955	Intermediate Similarity	NPC145067
0.7955	Intermediate Similarity	NPC230064
0.7955	Intermediate Similarity	NPC158030
0.7952	Intermediate Similarity	NPC260956
0.7952	Intermediate Similarity	NPC133391
0.7952	Intermediate Similarity	NPC193347
0.7952	Intermediate Similarity	NPC469325
0.7931	Intermediate Similarity	NPC310010
0.7931	Intermediate Similarity	NPC326627
0.7931	Intermediate Similarity	NPC305039
0.7927	Intermediate Similarity	NPC469637
0.7907	Intermediate Similarity	NPC96496
0.7907	Intermediate Similarity	NPC173089
0.7907	Intermediate Similarity	NPC158141
0.7901	Intermediate Similarity	NPC275494
0.7901	Intermediate Similarity	NPC179028
0.7901	Intermediate Similarity	NPC471409
0.7901	Intermediate Similarity	NPC59436
0.7895	Intermediate Similarity	NPC290445
0.7895	Intermediate Similarity	NPC36616
0.7889	Intermediate Similarity	NPC295347
0.7882	Intermediate Similarity	NPC469993
0.7875	Intermediate Similarity	NPC1254
0.7865	Intermediate Similarity	NPC477435
0.7865	Intermediate Similarity	NPC272075
0.7865	Intermediate Similarity	NPC211230
0.7865	Intermediate Similarity	NPC295643
0.7865	Intermediate Similarity	NPC477436
0.7865	Intermediate Similarity	NPC214756
0.7857	Intermediate Similarity	NPC271784
0.7857	Intermediate Similarity	NPC69279
0.7857	Intermediate Similarity	NPC477373
0.7857	Intermediate Similarity	NPC83569
0.7857	Intermediate Similarity	NPC97913
0.7857	Intermediate Similarity	NPC476100
0.7857	Intermediate Similarity	NPC200752
0.7848	Intermediate Similarity	NPC301065
0.7848	Intermediate Similarity	NPC3753
0.7848	Intermediate Similarity	NPC470299
0.7848	Intermediate Similarity	NPC237591
0.7841	Intermediate Similarity	NPC113393
0.7841	Intermediate Similarity	NPC476369
0.7841	Intermediate Similarity	NPC476437
0.7831	Intermediate Similarity	NPC40228
0.7831	Intermediate Similarity	NPC470034
0.7831	Intermediate Similarity	NPC189237
0.7831	Intermediate Similarity	NPC116797
0.7831	Intermediate Similarity	NPC327002
0.7831	Intermediate Similarity	NPC474085
0.7831	Intermediate Similarity	NPC473217
0.7831	Intermediate Similarity	NPC475863
0.7816	Intermediate Similarity	NPC474474
0.7816	Intermediate Similarity	NPC474511
0.7816	Intermediate Similarity	NPC1753
0.7805	Intermediate Similarity	NPC327674
0.7805	Intermediate Similarity	NPC474113
0.7802	Intermediate Similarity	NPC328162
0.7802	Intermediate Similarity	NPC96859
0.7802	Intermediate Similarity	NPC305483
0.7791	Intermediate Similarity	NPC73038
0.7791	Intermediate Similarity	NPC472869
0.7791	Intermediate Similarity	NPC324063

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC192329 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	131
0.1-0.2	1496
0.2-0.3	3808
0.3-0.4	2470
0.4-0.5	751
0.5-0.6	237
0.6-0.7	148
0.7-0.8	113
0.8-0.85	4
0.85-0.9	2
0.9-0.95	1
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9079	High Similarity	NPD3617	Approved
0.8846	High Similarity	NPD4695	Discontinued
0.8795	High Similarity	NPD7285	Clinical (unspecified phase)
0.8193	Intermediate Similarity	NPD4197	Approved
0.8095	Intermediate Similarity	NPD5329	Approved
0.8023	Intermediate Similarity	NPD6672	Approved
0.8023	Intermediate Similarity	NPD5737	Approved
0.7955	Intermediate Similarity	NPD7515	Phase 2
0.7952	Intermediate Similarity	NPD4223	Phase 3
0.7952	Intermediate Similarity	NPD4221	Approved
0.7931	Intermediate Similarity	NPD6080	Approved
0.7931	Intermediate Similarity	NPD6673	Approved
0.7931	Intermediate Similarity	NPD4753	Phase 2
0.7931	Intermediate Similarity	NPD6904	Approved
0.7912	Intermediate Similarity	NPD6083	Phase 2
0.7912	Intermediate Similarity	NPD6084	Phase 2
0.7889	Intermediate Similarity	NPD5695	Phase 3
0.7826	Intermediate Similarity	NPD5696	Approved
0.7791	Intermediate Similarity	NPD4694	Approved
0.7791	Intermediate Similarity	NPD5280	Approved
0.7791	Intermediate Similarity	NPD5690	Phase 2
0.7791	Intermediate Similarity	NPD3574	Clinical (unspecified phase)
0.7778	Intermediate Similarity	NPD7748	Approved
0.7765	Intermediate Similarity	NPD3666	Approved
0.7765	Intermediate Similarity	NPD3665	Phase 1
0.7765	Intermediate Similarity	NPD3133	Approved
0.7753	Intermediate Similarity	NPD5284	Approved
0.7753	Intermediate Similarity	NPD5281	Approved
0.7753	Intermediate Similarity	NPD5693	Phase 1
0.764	Intermediate Similarity	NPD5692	Phase 3
0.7609	Intermediate Similarity	NPD7614	Phase 1
0.7586	Intermediate Similarity	NPD6409	Approved
0.7586	Intermediate Similarity	NPD4690	Approved
0.7586	Intermediate Similarity	NPD4623	Approved
0.7586	Intermediate Similarity	NPD4689	Approved
0.7586	Intermediate Similarity	NPD7146	Approved
0.7586	Intermediate Similarity	NPD5205	Approved
0.7586	Intermediate Similarity	NPD4138	Approved
0.7586	Intermediate Similarity	NPD3618	Phase 1
0.7586	Intermediate Similarity	NPD7521	Approved
0.7586	Intermediate Similarity	NPD5330	Approved
0.7586	Intermediate Similarity	NPD6098	Approved
0.7586	Intermediate Similarity	NPD4688	Approved
0.7586	Intermediate Similarity	NPD4519	Discontinued
0.7586	Intermediate Similarity	NPD6684	Approved
0.7586	Intermediate Similarity	NPD7334	Approved
0.7586	Intermediate Similarity	NPD4693	Phase 3
0.7586	Intermediate Similarity	NPD5279	Phase 3
0.7556	Intermediate Similarity	NPD5694	Approved
0.7556	Intermediate Similarity	NPD6050	Approved
0.7529	Intermediate Similarity	NPD3667	Approved
0.7527	Intermediate Similarity	NPD7902	Approved
0.75	Intermediate Similarity	NPD4629	Approved
0.75	Intermediate Similarity	NPD3573	Approved
0.75	Intermediate Similarity	NPD5210	Approved
0.7473	Intermediate Similarity	NPD6399	Phase 3
0.7419	Intermediate Similarity	NPD5222	Approved
0.7419	Intermediate Similarity	NPD5221	Approved
0.7419	Intermediate Similarity	NPD5220	Clinical (unspecified phase)
0.7419	Intermediate Similarity	NPD4697	Phase 3
0.7416	Intermediate Similarity	NPD7513	Clinical (unspecified phase)
0.7416	Intermediate Similarity	NPD6903	Approved
0.7416	Intermediate Similarity	NPD5208	Approved
0.7412	Intermediate Similarity	NPD4692	Approved
0.7412	Intermediate Similarity	NPD4139	Approved
0.7403	Intermediate Similarity	NPD4224	Phase 2
0.7356	Intermediate Similarity	NPD4786	Approved
0.7347	Intermediate Similarity	NPD6675	Approved
0.7347	Intermediate Similarity	NPD6402	Approved
0.7347	Intermediate Similarity	NPD5739	Approved
0.7347	Intermediate Similarity	NPD7128	Approved
0.7342	Intermediate Similarity	NPD4137	Phase 3
0.734	Intermediate Similarity	NPD5173	Approved
0.734	Intermediate Similarity	NPD4755	Approved
0.7333	Intermediate Similarity	NPD5328	Approved
0.7312	Intermediate Similarity	NPD5654	Approved
0.7283	Intermediate Similarity	NPD5133	Approved
0.7273	Intermediate Similarity	NPD7341	Phase 2
0.7273	Intermediate Similarity	NPD5697	Approved
0.7273	Intermediate Similarity	NPD5701	Approved
0.725	Intermediate Similarity	NPD4691	Approved
0.725	Intermediate Similarity	NPD4747	Approved
0.7204	Intermediate Similarity	NPD7900	Approved
0.7204	Intermediate Similarity	NPD7901	Clinical (unspecified phase)
0.72	Intermediate Similarity	NPD6011	Approved
0.72	Intermediate Similarity	NPD6881	Approved
0.72	Intermediate Similarity	NPD6899	Approved
0.72	Intermediate Similarity	NPD7320	Approved
0.7188	Intermediate Similarity	NPD5286	Approved
0.7188	Intermediate Similarity	NPD4700	Approved
0.7188	Intermediate Similarity	NPD5285	Approved
0.7188	Intermediate Similarity	NPD4696	Approved
0.7176	Intermediate Similarity	NPD4195	Approved
0.7174	Intermediate Similarity	NPD6079	Approved
0.716	Intermediate Similarity	NPD6081	Approved
0.7159	Intermediate Similarity	NPD3668	Phase 3
0.7158	Intermediate Similarity	NPD5959	Approved
0.7129	Intermediate Similarity	NPD6014	Approved
0.7129	Intermediate Similarity	NPD6372	Approved
0.7129	Intermediate Similarity	NPD6013	Approved
0.7129	Intermediate Similarity	NPD6012	Approved
0.7129	Intermediate Similarity	NPD6373	Approved
0.7128	Intermediate Similarity	NPD6356	Clinical (unspecified phase)
0.7126	Intermediate Similarity	NPD4752	Clinical (unspecified phase)
0.7113	Intermediate Similarity	NPD5223	Approved
0.7097	Intermediate Similarity	NPD4202	Approved
0.7065	Intermediate Similarity	NPD5207	Approved
0.7059	Intermediate Similarity	NPD7290	Approved
0.7059	Intermediate Similarity	NPD7102	Approved
0.7059	Intermediate Similarity	NPD6883	Approved
0.7053	Intermediate Similarity	NPD7732	Phase 3
0.7045	Intermediate Similarity	NPD4788	Approved
0.7041	Intermediate Similarity	NPD5211	Phase 2
0.7041	Intermediate Similarity	NPD5091	Approved
0.7041	Intermediate Similarity	NPD5224	Approved
0.7041	Intermediate Similarity	NPD4633	Approved
0.7041	Intermediate Similarity	NPD5225	Approved
0.7041	Intermediate Similarity	NPD5226	Approved
0.7021	Intermediate Similarity	NPD6001	Approved
0.7013	Intermediate Similarity	NPD2664	Clinical (unspecified phase)
0.699	Remote Similarity	NPD6847	Approved
0.699	Remote Similarity	NPD8130	Phase 1
0.699	Remote Similarity	NPD6650	Approved
0.699	Remote Similarity	NPD6617	Approved
0.699	Remote Similarity	NPD6869	Approved
0.699	Remote Similarity	NPD6649	Approved
0.699	Remote Similarity	NPD6401	Clinical (unspecified phase)
0.6988	Remote Similarity	NPD4058	Approved
0.697	Remote Similarity	NPD5174	Approved
0.697	Remote Similarity	NPD5175	Approved
0.697	Remote Similarity	NPD4754	Approved
0.6923	Remote Similarity	NPD6882	Approved
0.6923	Remote Similarity	NPD8297	Approved
0.69	Remote Similarity	NPD5141	Approved
0.6889	Remote Similarity	NPD7520	Clinical (unspecified phase)
0.6882	Remote Similarity	NPD4096	Approved
0.6857	Remote Similarity	NPD4632	Approved
0.6832	Remote Similarity	NPD4768	Approved
0.6832	Remote Similarity	NPD4767	Approved
0.6829	Remote Similarity	NPD4789	Approved
0.679	Remote Similarity	NPD3621	Clinical (unspecified phase)
0.6786	Remote Similarity	NPD4687	Approved
0.6786	Remote Similarity	NPD5733	Approved
0.6765	Remote Similarity	NPD6614	Approved
0.675	Remote Similarity	NPD7331	Phase 2
0.675	Remote Similarity	NPD3704	Approved
0.6747	Remote Similarity	NPD5276	Approved
0.6735	Remote Similarity	NPD7638	Approved
0.6729	Remote Similarity	NPD6274	Approved
0.6729	Remote Similarity	NPD6868	Approved
0.6703	Remote Similarity	NPD1694	Approved
0.6699	Remote Similarity	NPD5168	Approved
0.6699	Remote Similarity	NPD5128	Approved
0.6699	Remote Similarity	NPD4730	Approved
0.6699	Remote Similarity	NPD4729	Approved
0.6667	Remote Similarity	NPD6317	Approved
0.6667	Remote Similarity	NPD7639	Approved
0.6667	Remote Similarity	NPD6404	Discontinued
0.6667	Remote Similarity	NPD6009	Approved
0.6667	Remote Similarity	NPD7640	Approved
0.6667	Remote Similarity	NPD4518	Approved
0.6635	Remote Similarity	NPD4061	Clinical (unspecified phase)
0.6634	Remote Similarity	NPD6052	Approved
0.6632	Remote Similarity	NPD8034	Phase 2
0.6632	Remote Similarity	NPD6411	Approved
0.6632	Remote Similarity	NPD8035	Phase 2
0.6628	Remote Similarity	NPD6117	Approved
0.6625	Remote Similarity	NPD3171	Clinical (unspecified phase)
0.6606	Remote Similarity	NPD6335	Approved
0.6606	Remote Similarity	NPD6313	Approved
0.6606	Remote Similarity	NPD6314	Approved
0.6602	Remote Similarity	NPD6412	Phase 2
0.6588	Remote Similarity	NPD6113	Clinical (unspecified phase)
0.6585	Remote Similarity	NPD5361	Clinical (unspecified phase)
0.6585	Remote Similarity	NPD5360	Phase 3
0.6571	Remote Similarity	NPD4634	Approved
0.6571	Remote Similarity	NPD5251	Approved
0.6571	Remote Similarity	NPD5250	Approved
0.6571	Remote Similarity	NPD5955	Clinical (unspecified phase)
0.6571	Remote Similarity	NPD5169	Approved
0.6571	Remote Similarity	NPD5247	Approved
0.6571	Remote Similarity	NPD5134	Clinical (unspecified phase)
0.6571	Remote Similarity	NPD5249	Phase 3
0.6571	Remote Similarity	NPD5248	Approved
0.6571	Remote Similarity	NPD5135	Approved
0.6556	Remote Similarity	NPD4800	Clinical (unspecified phase)
0.6552	Remote Similarity	NPD4756	Discovery
0.6552	Remote Similarity	NPD6116	Phase 1
0.6548	Remote Similarity	NPD4243	Approved
0.6545	Remote Similarity	NPD7101	Approved
0.6545	Remote Similarity	NPD7100	Approved
0.6535	Remote Similarity	NPD7632	Discontinued
0.6517	Remote Similarity	NPD8259	Clinical (unspecified phase)
0.6512	Remote Similarity	NPD3702	Approved
0.6509	Remote Similarity	NPD5215	Approved
0.6509	Remote Similarity	NPD5217	Approved
0.6509	Remote Similarity	NPD5127	Approved
0.6509	Remote Similarity	NPD5216	Approved
0.6506	Remote Similarity	NPD3700	Clinical (unspecified phase)
0.6506	Remote Similarity	NPD3699	Clinical (unspecified phase)

Structure

NPC192329 OpenBabel07101719242D 23 25 0 0 1 0 0 0 0 0999 V2000 3.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0000 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 1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -0.0000 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 0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.0000 0.0000 C 0 0 1 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 0.8660 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2321 -1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7321 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7321 3.0000 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 -3.2321 -1.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -2.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 17 1 0 0 0 0 8 19 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 11 15 2 0 0 0 0 11 18 1 0 0 0 0 12 19 1 1 0 0 0 13 15 1 0 0 0 0 13 20 2 0 0 0 0 14 18 1 1 0 0 0 14 19 1 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 16 22 2 0 0 0 0 16 23 1 0 0 0 0 17 2 1 6 0 0 0 18 3 1 6 0 0 0 19 4 1 1 0 0 0 M END $$$$

External Identifiers

PubChem CID	15765119
ChEMBL	CHEMBL517524
ZINC

Physicochemical Properties

Molecular Weight:	320.20
ALogP:	1.0259
MLogP:	3.11
XLogP:	4.056
# Rotatable Bonds:	7
Polar Surface Area:	74.6
# H-Bond Aceptor:	4
# H-Bond Donor:	2
# Rings:	3
# Heavy Atoms:	23

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