NPASS Natural Product

Natural Product: NPC469637

Natural Product ID:	NPC469637
Common Name:	Trogopteroid C
IUPAC Name:	(4aS,4bR,7S,10aR)-7-ethenyl-8a-hydroxy-1,1,4a,7-tetramethyl-4b,5,8,9,10,10a-hexahydrophenanthrene-2,6-dione
Synonyms:	Trogopteroid C
Molecular Formula:	C20H28O3
Standard InCHIKey:	MFCIBZRSHPNCSK-DTQYSHRGSA-N
Standard InCHI:	InChI=1S/C20H28O3/c1-6-18(4)12-20(23)10-7-13-17(2,3)15(21)8-9-19(13,5)14(20)11-16(18)22/h6,8-9,13-14,23H,1,7,10-12H2,2-5H3/t13-,14+,18+,19-,20?/m0/s1
Canonical SMILES:	C=C[C@]1(C)CC2(O)CC[C@@H]3[C@]([C@H]2CC1=O)(C)C=CC(=O)C3(C)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
NPO882	Trogopterus xanthipes	Species	Sciuridae	Eukaryota	Faeces			PMID[20402524]

Biological Activity

Activity Type	# Activity
IC50	4

Activity Type	# Activity
Cell Line	4

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT116	Cell Line	HL-60	Homo sapiens	IC50	>	40000	nM	12880316
NPT15	Cell Line	Jurkat	Homo sapiens	IC50	>	40000	nM	Open TG-GATES in vivo data: Hematology
NPT466	Cell Line	U-937	Homo sapiens	IC50	>	40000	nM	19128055
NPT65	Cell Line	HepG2	Homo sapiens	IC50	>	40000	nM	DrugMatrix in vitro pharmacology data

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 NPC469637 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	114
0.1-0.2	817
0.2-0.3	3400
0.3-0.4	9105
0.4-0.5	8051
0.5-0.6	4815
0.6-0.7	3238
0.7-0.8	1239
0.8-0.85	94
0.85-0.9	14
0.9-0.95	2
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9474	High Similarity	NPC476809
0.9103	High Similarity	NPC473217
0.8947	High Similarity	NPC186554
0.8947	High Similarity	NPC76966
0.8933	High Similarity	NPC38426
0.8902	High Similarity	NPC471792
0.8795	High Similarity	NPC471791
0.8795	High Similarity	NPC471793
0.8795	High Similarity	NPC48107
0.8765	High Similarity	NPC251170
0.8718	High Similarity	NPC476808
0.8684	High Similarity	NPC162164
0.8684	High Similarity	NPC22134
0.8608	High Similarity	NPC170394
0.859	High Similarity	NPC257666
0.859	High Similarity	NPC266193
0.8481	Intermediate Similarity	NPC471409
0.8481	Intermediate Similarity	NPC207772
0.8481	Intermediate Similarity	NPC275494
0.8471	Intermediate Similarity	NPC119416
0.8434	Intermediate Similarity	NPC469993
0.8395	Intermediate Similarity	NPC278459
0.8395	Intermediate Similarity	NPC226068
0.8375	Intermediate Similarity	NPC474113
0.8354	Intermediate Similarity	NPC34110
0.8354	Intermediate Similarity	NPC165711
0.8353	Intermediate Similarity	NPC474677
0.8353	Intermediate Similarity	NPC472802
0.8353	Intermediate Similarity	NPC158778
0.8333	Intermediate Similarity	NPC94666
0.8333	Intermediate Similarity	NPC472479
0.8293	Intermediate Similarity	NPC238991
0.8293	Intermediate Similarity	NPC302661
0.8293	Intermediate Similarity	NPC193347
0.8276	Intermediate Similarity	NPC272746
0.8272	Intermediate Similarity	NPC108955
0.8272	Intermediate Similarity	NPC2482
0.8256	Intermediate Similarity	NPC472973
0.825	Intermediate Similarity	NPC189485
0.825	Intermediate Similarity	NPC253561
0.825	Intermediate Similarity	NPC80088
0.8235	Intermediate Similarity	NPC30421
0.8228	Intermediate Similarity	NPC104806
0.8228	Intermediate Similarity	NPC151622
0.8228	Intermediate Similarity	NPC472305
0.8228	Intermediate Similarity	NPC7629
0.8214	Intermediate Similarity	NPC29447
0.8214	Intermediate Similarity	NPC33663
0.8214	Intermediate Similarity	NPC474537
0.8214	Intermediate Similarity	NPC470574
0.8202	Intermediate Similarity	NPC474602
0.8193	Intermediate Similarity	NPC105803
0.8193	Intermediate Similarity	NPC64600
0.8182	Intermediate Similarity	NPC134826
0.8171	Intermediate Similarity	NPC55869
0.8171	Intermediate Similarity	NPC121984
0.8171	Intermediate Similarity	NPC471898
0.8161	Intermediate Similarity	NPC475823
0.8161	Intermediate Similarity	NPC474209
0.8161	Intermediate Similarity	NPC85173
0.814	Intermediate Similarity	NPC328539
0.814	Intermediate Similarity	NPC206060
0.8125	Intermediate Similarity	NPC472746
0.8125	Intermediate Similarity	NPC197659
0.8118	Intermediate Similarity	NPC472986
0.8118	Intermediate Similarity	NPC472488
0.8118	Intermediate Similarity	NPC179591
0.8118	Intermediate Similarity	NPC472985
0.8118	Intermediate Similarity	NPC158393
0.8118	Intermediate Similarity	NPC74363
0.8118	Intermediate Similarity	NPC475862
0.8118	Intermediate Similarity	NPC472974
0.8101	Intermediate Similarity	NPC192540
0.8101	Intermediate Similarity	NPC279666
0.8095	Intermediate Similarity	NPC472480
0.8095	Intermediate Similarity	NPC476412
0.8095	Intermediate Similarity	NPC144258
0.809	Intermediate Similarity	NPC471207
0.8077	Intermediate Similarity	NPC247586
0.8072	Intermediate Similarity	NPC48362
0.8068	Intermediate Similarity	NPC475806
0.8068	Intermediate Similarity	NPC472978
0.8068	Intermediate Similarity	NPC472975
0.8049	Intermediate Similarity	NPC472478
0.8049	Intermediate Similarity	NPC26139
0.8049	Intermediate Similarity	NPC172013
0.8046	Intermediate Similarity	NPC472477
0.8046	Intermediate Similarity	NPC262043
0.8046	Intermediate Similarity	NPC472475
0.8046	Intermediate Similarity	NPC65615
0.8046	Intermediate Similarity	NPC68148
0.8025	Intermediate Similarity	NPC19443
0.8025	Intermediate Similarity	NPC74410
0.8023	Intermediate Similarity	NPC475740
0.8023	Intermediate Similarity	NPC73064
0.8023	Intermediate Similarity	NPC141292
0.8023	Intermediate Similarity	NPC58063
0.8023	Intermediate Similarity	NPC93778
0.8022	Intermediate Similarity	NPC473456
0.8	Intermediate Similarity	NPC476426
0.8	Intermediate Similarity	NPC69143
0.8	Intermediate Similarity	NPC92080
0.8	Intermediate Similarity	NPC472824
0.8	Intermediate Similarity	NPC474680
0.8	Intermediate Similarity	NPC147232
0.8	Intermediate Similarity	NPC133954
0.8	Intermediate Similarity	NPC271195
0.8	Intermediate Similarity	NPC180886
0.8	Intermediate Similarity	NPC6185
0.8	Intermediate Similarity	NPC241512
0.7978	Intermediate Similarity	NPC131840
0.7978	Intermediate Similarity	NPC474807
0.7976	Intermediate Similarity	NPC53733
0.7976	Intermediate Similarity	NPC102197
0.7975	Intermediate Similarity	NPC283908
0.7975	Intermediate Similarity	NPC251970
0.7975	Intermediate Similarity	NPC103958
0.7975	Intermediate Similarity	NPC476046
0.7975	Intermediate Similarity	NPC241854
0.7975	Intermediate Similarity	NPC183503
0.7975	Intermediate Similarity	NPC161923
0.7955	Intermediate Similarity	NPC191684
0.7955	Intermediate Similarity	NPC472476
0.7955	Intermediate Similarity	NPC126993
0.7952	Intermediate Similarity	NPC119229
0.7952	Intermediate Similarity	NPC225515
0.7952	Intermediate Similarity	NPC14151
0.7952	Intermediate Similarity	NPC116797
0.7935	Intermediate Similarity	NPC103051
0.7931	Intermediate Similarity	NPC310752
0.7931	Intermediate Similarity	NPC474925
0.7931	Intermediate Similarity	NPC292491
0.7931	Intermediate Similarity	NPC58271
0.7931	Intermediate Similarity	NPC471722
0.7931	Intermediate Similarity	NPC473229
0.7927	Intermediate Similarity	NPC231431
0.7927	Intermediate Similarity	NPC215843
0.7927	Intermediate Similarity	NPC192329
0.7912	Intermediate Similarity	NPC473158
0.7912	Intermediate Similarity	NPC61369
0.7912	Intermediate Similarity	NPC5532
0.7912	Intermediate Similarity	NPC469545
0.7907	Intermediate Similarity	NPC213412
0.7907	Intermediate Similarity	NPC474778
0.7907	Intermediate Similarity	NPC474732
0.7907	Intermediate Similarity	NPC31564
0.7907	Intermediate Similarity	NPC474733
0.7907	Intermediate Similarity	NPC72133
0.7907	Intermediate Similarity	NPC145879
0.7907	Intermediate Similarity	NPC73038
0.7901	Intermediate Similarity	NPC97377
0.7901	Intermediate Similarity	NPC472300
0.7895	Intermediate Similarity	NPC263161
0.7889	Intermediate Similarity	NPC8993
0.7889	Intermediate Similarity	NPC472976
0.7889	Intermediate Similarity	NPC160413
0.7889	Intermediate Similarity	NPC299100
0.7889	Intermediate Similarity	NPC23170
0.7889	Intermediate Similarity	NPC472977
0.7889	Intermediate Similarity	NPC103527
0.7882	Intermediate Similarity	NPC161423
0.7882	Intermediate Similarity	NPC321187
0.7882	Intermediate Similarity	NPC227064
0.7882	Intermediate Similarity	NPC96095
0.7882	Intermediate Similarity	NPC85774
0.7882	Intermediate Similarity	NPC58841
0.7882	Intermediate Similarity	NPC470812
0.7882	Intermediate Similarity	NPC237712
0.7882	Intermediate Similarity	NPC329043
0.7882	Intermediate Similarity	NPC214043
0.7875	Intermediate Similarity	NPC201027
0.7865	Intermediate Similarity	NPC233455
0.7865	Intermediate Similarity	NPC26865
0.7865	Intermediate Similarity	NPC168027
0.7865	Intermediate Similarity	NPC145067
0.7865	Intermediate Similarity	NPC4036
0.7865	Intermediate Similarity	NPC131872
0.7865	Intermediate Similarity	NPC252433
0.7865	Intermediate Similarity	NPC65120
0.7865	Intermediate Similarity	NPC158030
0.7865	Intermediate Similarity	NPC185936
0.7857	Intermediate Similarity	NPC73882
0.7857	Intermediate Similarity	NPC103486
0.7857	Intermediate Similarity	NPC320514
0.7857	Intermediate Similarity	NPC151519
0.7857	Intermediate Similarity	NPC100297
0.7849	Intermediate Similarity	NPC144956
0.7841	Intermediate Similarity	NPC472983
0.7841	Intermediate Similarity	NPC118011
0.7841	Intermediate Similarity	NPC477973
0.7841	Intermediate Similarity	NPC329643
0.7841	Intermediate Similarity	NPC472489
0.7841	Intermediate Similarity	NPC1015
0.7841	Intermediate Similarity	NPC309603
0.7841	Intermediate Similarity	NPC473999
0.7841	Intermediate Similarity	NPC86319
0.7841	Intermediate Similarity	NPC36668
0.7841	Intermediate Similarity	NPC31985
0.7841	Intermediate Similarity	NPC275740
0.7841	Intermediate Similarity	NPC474918

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC469637 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	134
0.1-0.2	1383
0.2-0.3	3834
0.3-0.4	2580
0.4-0.5	748
0.5-0.6	215
0.6-0.7	125
0.7-0.8	128
0.8-0.85	12
0.85-0.9	2
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.878	High Similarity	NPD3574	Clinical (unspecified phase)
0.8554	High Similarity	NPD3618	Phase 1
0.8293	Intermediate Similarity	NPD4223	Phase 3
0.8293	Intermediate Similarity	NPD4221	Approved
0.8276	Intermediate Similarity	NPD6079	Approved
0.8272	Intermediate Similarity	NPD4695	Discontinued
0.8235	Intermediate Similarity	NPD3573	Approved
0.8118	Intermediate Similarity	NPD4519	Discontinued
0.8118	Intermediate Similarity	NPD4623	Approved
0.8118	Intermediate Similarity	NPD5690	Phase 2
0.8095	Intermediate Similarity	NPD4197	Approved
0.8046	Intermediate Similarity	NPD5328	Approved
0.8025	Intermediate Similarity	NPD3617	Approved
0.8	Intermediate Similarity	NPD5329	Approved
0.7978	Intermediate Similarity	NPD4202	Approved
0.7927	Intermediate Similarity	NPD4195	Approved
0.7912	Intermediate Similarity	NPD5221	Approved
0.7912	Intermediate Similarity	NPD5220	Clinical (unspecified phase)
0.7912	Intermediate Similarity	NPD5222	Approved
0.7907	Intermediate Similarity	NPD4688	Approved
0.7907	Intermediate Similarity	NPD4690	Approved
0.7907	Intermediate Similarity	NPD4138	Approved
0.7907	Intermediate Similarity	NPD4689	Approved
0.7907	Intermediate Similarity	NPD5205	Approved
0.7907	Intermediate Similarity	NPD4693	Phase 3
0.7882	Intermediate Similarity	NPD3133	Approved
0.7882	Intermediate Similarity	NPD3665	Phase 1
0.7882	Intermediate Similarity	NPD3666	Approved
0.7865	Intermediate Similarity	NPD7515	Phase 2
0.7857	Intermediate Similarity	NPD3667	Approved
0.7849	Intermediate Similarity	NPD5285	Approved
0.7849	Intermediate Similarity	NPD4696	Approved
0.7849	Intermediate Similarity	NPD5286	Approved
0.7826	Intermediate Similarity	NPD5173	Approved
0.7802	Intermediate Similarity	NPD4629	Approved
0.7802	Intermediate Similarity	NPD5210	Approved
0.7766	Intermediate Similarity	NPD5223	Approved
0.7717	Intermediate Similarity	NPD4697	Phase 3
0.7701	Intermediate Similarity	NPD5280	Approved
0.7701	Intermediate Similarity	NPD4694	Approved
0.7692	Intermediate Similarity	NPD7748	Approved
0.7684	Intermediate Similarity	NPD5224	Approved
0.7684	Intermediate Similarity	NPD5211	Phase 2
0.7684	Intermediate Similarity	NPD5225	Approved
0.7684	Intermediate Similarity	NPD4633	Approved
0.7684	Intermediate Similarity	NPD5226	Approved
0.7674	Intermediate Similarity	NPD4786	Approved
0.7667	Intermediate Similarity	NPD5281	Approved
0.7667	Intermediate Similarity	NPD5284	Approved
0.764	Intermediate Similarity	NPD4753	Phase 2
0.7634	Intermediate Similarity	NPD4755	Approved
0.7634	Intermediate Similarity	NPD7902	Approved
0.7604	Intermediate Similarity	NPD5174	Approved
0.7604	Intermediate Similarity	NPD5175	Approved
0.7595	Intermediate Similarity	NPD4691	Approved
0.7531	Intermediate Similarity	NPD4058	Approved
0.7526	Intermediate Similarity	NPD5141	Approved
0.7474	Intermediate Similarity	NPD4700	Approved
0.7468	Intermediate Similarity	NPD4137	Phase 3
0.7444	Intermediate Similarity	NPD7285	Clinical (unspecified phase)
0.7375	Intermediate Similarity	NPD4747	Approved
0.7374	Intermediate Similarity	NPD5697	Approved
0.7326	Intermediate Similarity	NPD4139	Approved
0.7326	Intermediate Similarity	NPD4692	Approved
0.732	Intermediate Similarity	NPD5091	Approved
0.7312	Intermediate Similarity	NPD6001	Approved
0.7312	Intermediate Similarity	NPD7901	Clinical (unspecified phase)
0.7312	Intermediate Similarity	NPD7900	Approved
0.7303	Intermediate Similarity	NPD5279	Phase 3
0.73	Intermediate Similarity	NPD6011	Approved
0.73	Intermediate Similarity	NPD4730	Approved
0.73	Intermediate Similarity	NPD6899	Approved
0.73	Intermediate Similarity	NPD6881	Approved
0.73	Intermediate Similarity	NPD4729	Approved
0.7273	Intermediate Similarity	NPD3668	Phase 3
0.7255	Intermediate Similarity	NPD6650	Approved
0.7255	Intermediate Similarity	NPD6649	Approved
0.7245	Intermediate Similarity	NPD4754	Approved
0.7234	Intermediate Similarity	NPD6356	Clinical (unspecified phase)
0.7228	Intermediate Similarity	NPD6013	Approved
0.7228	Intermediate Similarity	NPD6014	Approved
0.7228	Intermediate Similarity	NPD6012	Approved
0.7204	Intermediate Similarity	NPD5133	Approved
0.7204	Intermediate Similarity	NPD6399	Phase 3
0.7191	Intermediate Similarity	NPD1694	Approved
0.7188	Intermediate Similarity	NPD5696	Approved
0.7179	Intermediate Similarity	NPD7341	Phase 2
0.7174	Intermediate Similarity	NPD4096	Approved
0.7174	Intermediate Similarity	NPD5207	Approved
0.7159	Intermediate Similarity	NPD4788	Approved
0.7158	Intermediate Similarity	NPD7614	Phase 1
0.7157	Intermediate Similarity	NPD4634	Approved
0.7157	Intermediate Similarity	NPD6883	Approved
0.7157	Intermediate Similarity	NPD7102	Approved
0.7157	Intermediate Similarity	NPD5134	Clinical (unspecified phase)
0.7157	Intermediate Similarity	NPD5135	Approved
0.7157	Intermediate Similarity	NPD7290	Approved
0.7157	Intermediate Similarity	NPD5169	Approved
0.7157	Intermediate Similarity	NPD5250	Approved
0.7157	Intermediate Similarity	NPD5247	Approved
0.7157	Intermediate Similarity	NPD5249	Phase 3
0.7157	Intermediate Similarity	NPD5248	Approved
0.7157	Intermediate Similarity	NPD5251	Approved
0.7143	Intermediate Similarity	NPD4518	Approved
0.7143	Intermediate Similarity	NPD5208	Approved
0.7129	Intermediate Similarity	NPD5128	Approved
0.7129	Intermediate Similarity	NPD5168	Approved
0.7125	Intermediate Similarity	NPD5361	Clinical (unspecified phase)
0.7125	Intermediate Similarity	NPD5360	Phase 3
0.7111	Intermediate Similarity	NPD7146	Approved
0.7111	Intermediate Similarity	NPD5330	Approved
0.7111	Intermediate Similarity	NPD6409	Approved
0.7111	Intermediate Similarity	NPD7521	Approved
0.7111	Intermediate Similarity	NPD7334	Approved
0.7111	Intermediate Similarity	NPD6684	Approved
0.7108	Intermediate Similarity	NPD4687	Approved
0.71	Intermediate Similarity	NPD4767	Approved
0.71	Intermediate Similarity	NPD5739	Approved
0.71	Intermediate Similarity	NPD6402	Approved
0.71	Intermediate Similarity	NPD6675	Approved
0.71	Intermediate Similarity	NPD7128	Approved
0.71	Intermediate Similarity	NPD4768	Approved
0.7089	Intermediate Similarity	NPD7331	Phase 2
0.7087	Intermediate Similarity	NPD5217	Approved
0.7087	Intermediate Similarity	NPD5215	Approved
0.7087	Intermediate Similarity	NPD8130	Phase 1
0.7087	Intermediate Similarity	NPD5127	Approved
0.7087	Intermediate Similarity	NPD5216	Approved
0.7087	Intermediate Similarity	NPD6617	Approved
0.7087	Intermediate Similarity	NPD6847	Approved
0.7087	Intermediate Similarity	NPD6869	Approved
0.7083	Intermediate Similarity	NPD6084	Phase 2
0.7083	Intermediate Similarity	NPD6083	Phase 2
0.7065	Intermediate Similarity	NPD6080	Approved
0.7065	Intermediate Similarity	NPD6673	Approved
0.7065	Intermediate Similarity	NPD6904	Approved
0.7059	Intermediate Similarity	NPD6372	Approved
0.7059	Intermediate Similarity	NPD6373	Approved
0.7053	Intermediate Similarity	NPD5695	Phase 3
0.703	Intermediate Similarity	NPD5701	Approved
0.7019	Intermediate Similarity	NPD8297	Approved
0.7019	Intermediate Similarity	NPD6882	Approved
0.6961	Remote Similarity	NPD7320	Approved
0.6957	Remote Similarity	NPD5737	Approved
0.6957	Remote Similarity	NPD6903	Approved
0.6957	Remote Similarity	NPD7513	Clinical (unspecified phase)
0.6957	Remote Similarity	NPD6672	Approved
0.6952	Remote Similarity	NPD4632	Approved
0.6923	Remote Similarity	NPD6098	Approved
0.6916	Remote Similarity	NPD7115	Discovery
0.6915	Remote Similarity	NPD5694	Approved
0.6915	Remote Similarity	NPD5693	Phase 1
0.6914	Remote Similarity	NPD3621	Clinical (unspecified phase)
0.6905	Remote Similarity	NPD5733	Approved
0.6905	Remote Similarity	NPD4784	Approved
0.6905	Remote Similarity	NPD4785	Approved
0.6897	Remote Similarity	NPD7645	Phase 2
0.6887	Remote Similarity	NPD5167	Approved
0.6867	Remote Similarity	NPD5276	Approved
0.6867	Remote Similarity	NPD4758	Discontinued
0.6867	Remote Similarity	NPD4243	Approved
0.6837	Remote Similarity	NPD5290	Discontinued
0.6829	Remote Similarity	NPD3700	Clinical (unspecified phase)
0.6829	Remote Similarity	NPD3699	Clinical (unspecified phase)
0.6818	Remote Similarity	NPD7525	Registered
0.6813	Remote Similarity	NPD1696	Phase 3
0.6813	Remote Similarity	NPD7520	Clinical (unspecified phase)
0.6809	Remote Similarity	NPD5692	Phase 3
0.6765	Remote Similarity	NPD6008	Approved
0.6762	Remote Similarity	NPD6401	Clinical (unspecified phase)
0.6759	Remote Similarity	NPD6317	Approved
0.6759	Remote Similarity	NPD6009	Approved
0.6744	Remote Similarity	NPD3701	Clinical (unspecified phase)
0.6742	Remote Similarity	NPD8028	Phase 2
0.6737	Remote Similarity	NPD6050	Approved
0.6697	Remote Similarity	NPD6314	Approved
0.6697	Remote Similarity	NPD6335	Approved
0.6697	Remote Similarity	NPD6313	Approved
0.6667	Remote Similarity	NPD6274	Approved
0.6667	Remote Similarity	NPD4809	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD4752	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD4808	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD6868	Approved
0.6667	Remote Similarity	NPD7638	Approved
0.6667	Remote Similarity	NPD6291	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD4224	Phase 2
0.6636	Remote Similarity	NPD7101	Approved
0.6636	Remote Similarity	NPD7100	Approved
0.6633	Remote Similarity	NPD7732	Phase 3
0.6629	Remote Similarity	NPD8259	Clinical (unspecified phase)
0.6628	Remote Similarity	NPD4190	Phase 3
0.6628	Remote Similarity	NPD5275	Approved
0.6628	Remote Similarity	NPD7339	Approved
0.6628	Remote Similarity	NPD6942	Approved
0.6628	Remote Similarity	NPD3703	Phase 2
0.66	Remote Similarity	NPD7639	Approved
0.66	Remote Similarity	NPD7640	Approved
0.6593	Remote Similarity	NPD3527	Clinical (unspecified phase)
0.6577	Remote Similarity	NPD6054	Approved
0.6577	Remote Similarity	NPD6319	Approved

Structure

NPC469637 OpenBabel07101718282D 23 25 0 0 1 0 0 0 0 0999 V2000 -1.2247 -1.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8301 0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7934 0.6088 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 -0.2588 -0.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -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 2.5981 2.5000 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 0.8660 1.5000 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 3.4641 1.0000 0.0000 C 0 0 1 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 4.3301 2.5000 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 4.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5981 1.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7321 -0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1962 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 17 1 0 0 0 0 3 17 1 0 0 0 0 6 18 1 0 0 0 0 7 10 1 0 0 0 0 7 13 1 0 0 0 0 8 9 2 0 0 0 0 8 15 1 0 0 0 0 9 19 1 0 0 0 0 10 20 1 0 0 0 0 11 14 1 0 0 0 0 11 16 1 0 0 0 0 12 18 1 0 0 0 0 12 20 1 0 0 0 0 13 17 1 0 0 0 0 13 19 1 6 0 0 0 14 19 1 6 0 0 0 14 20 1 0 0 0 0 15 17 1 0 0 0 0 15 21 2 0 0 0 0 16 18 1 0 0 0 0 16 22 2 0 0 0 0 18 4 1 6 0 0 0 19 5 1 6 0 0 0 20 23 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	46833405
ChEMBL	CHEMBL1095113
ZINC

Physicochemical Properties

Molecular Weight:	316.20
ALogP:	1.9564
MLogP:	3.33
XLogP:	2.404
# Rotatable Bonds:	6
Polar Surface Area:	54.37
# H-Bond Aceptor:	3
# H-Bond Donor:	1
# Rings:	3
# Heavy Atoms:	23

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