NPASS Natural Product

Natural Product: NPC103134

Natural Product ID:	NPC103134
Common Name:	Salmahyrtisol B
IUPAC Name:	(5aS,5bR,7aS,11aS,11bR,13R,13aS)-13-hydroxy-5b,8,8,11a,13a-pentamethyl-5a,6,7,7a,9,10,11,11b,12,13-decahydro-5H-phenanthro[2,1-e][2]benzofuran-4-one
Synonyms:
Molecular Formula:	C25H36O3
Standard InCHIKey:	OBGAYCPJDDFTFT-JAVRITLLSA-N
Standard InCHI:	InChI=1S/C25H36O3/c1-22(2)8-6-9-23(3)18(22)7-10-24(4)19(23)12-21(27)25(5)16-14-28-13-15(16)17(26)11-20(24)25/h13-14,18-21,27H,6-12H2,1-5H3/t18-,19+,20-,21+,23-,24+,25+/m0/s1
Canonical SMILES:	O=C1C[C@H]2[C@]3(C)CC[C@@H]4[C@]([C@H]3C[C@H]([C@@]2(c2c1coc2)C)O)(C)CCCC4(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
NPO33333	hyrtios erecta	Species	Thorectidae	Eukaryota		Red Sea		PMID[11809054]

Biological Activity

Activity Type	# Activity
IC50	3

Activity Type	# Activity
Cell Line	3

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT168	Cell Line	P388	Mus musculus	IC50	>=	1	ug/ml	PubChem BioAssay data set
NPT81	Cell Line	A549	Homo sapiens	IC50	>=	1	ug/ml	23398362
NPT139	Cell Line	HT-29	Homo sapiens	IC50	>=	1	ug/ml	23398362

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 NPC103134 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	233
0.1-0.2	1065
0.2-0.3	2252
0.3-0.4	4056
0.4-0.5	7735
0.5-0.6	8047
0.6-0.7	6140
0.7-0.8	1165
0.8-0.85	174
0.85-0.9	18
0.9-0.95	4
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9412	High Similarity	NPC4764
0.9353	High Similarity	NPC62103
0.9353	High Similarity	NPC20578
0.9155	High Similarity	NPC41182
0.8921	High Similarity	NPC214572
0.8857	High Similarity	NPC310043
0.8684	High Similarity	NPC474611
0.8671	High Similarity	NPC67003
0.8667	High Similarity	NPC178932
0.8662	High Similarity	NPC471996
0.8652	High Similarity	NPC46896
0.8621	High Similarity	NPC64568
0.8609	High Similarity	NPC35000
0.8609	High Similarity	NPC469336
0.86	High Similarity	NPC469503
0.8562	High Similarity	NPC140952
0.8552	High Similarity	NPC52412
0.8543	High Similarity	NPC30222
0.8529	High Similarity	NPC303010
0.8523	High Similarity	NPC472654
0.8514	High Similarity	NPC216755
0.85	High Similarity	NPC471995
0.8497	Intermediate Similarity	NPC81405
0.8493	Intermediate Similarity	NPC243577
0.8487	Intermediate Similarity	NPC472786
0.8451	Intermediate Similarity	NPC158525
0.8446	Intermediate Similarity	NPC97904
0.8425	Intermediate Similarity	NPC263337
0.8425	Intermediate Similarity	NPC121158
0.8421	Intermediate Similarity	NPC282445
0.8414	Intermediate Similarity	NPC18904
0.84	Intermediate Similarity	NPC211625
0.84	Intermediate Similarity	NPC195325
0.8389	Intermediate Similarity	NPC471174
0.8387	Intermediate Similarity	NPC335761
0.8382	Intermediate Similarity	NPC272899
0.8378	Intermediate Similarity	NPC185456
0.8378	Intermediate Similarity	NPC5676
0.8377	Intermediate Similarity	NPC472772
0.8377	Intermediate Similarity	NPC249021
0.8354	Intermediate Similarity	NPC270312
0.8344	Intermediate Similarity	NPC159927
0.8344	Intermediate Similarity	NPC196864
0.8344	Intermediate Similarity	NPC56358
0.8344	Intermediate Similarity	NPC472664
0.8344	Intermediate Similarity	NPC477404
0.8344	Intermediate Similarity	NPC469335
0.8333	Intermediate Similarity	NPC5079
0.8333	Intermediate Similarity	NPC263432
0.8333	Intermediate Similarity	NPC69028
0.8323	Intermediate Similarity	NPC307383
0.8322	Intermediate Similarity	NPC62799
0.8312	Intermediate Similarity	NPC41880
0.8311	Intermediate Similarity	NPC251865
0.8311	Intermediate Similarity	NPC476944
0.8301	Intermediate Similarity	NPC114880
0.8299	Intermediate Similarity	NPC473152
0.8298	Intermediate Similarity	NPC61788
0.8286	Intermediate Similarity	NPC120836
0.8286	Intermediate Similarity	NPC223063
0.828	Intermediate Similarity	NPC39986
0.828	Intermediate Similarity	NPC134254
0.828	Intermediate Similarity	NPC51568
0.828	Intermediate Similarity	NPC302369
0.828	Intermediate Similarity	NPC234660
0.828	Intermediate Similarity	NPC477405
0.8269	Intermediate Similarity	NPC287559
0.8258	Intermediate Similarity	NPC304692
0.8252	Intermediate Similarity	NPC471998
0.8247	Intermediate Similarity	NPC75310
0.8247	Intermediate Similarity	NPC179170
0.8247	Intermediate Similarity	NPC92979
0.8243	Intermediate Similarity	NPC476946
0.8239	Intermediate Similarity	NPC472282
0.8235	Intermediate Similarity	NPC294511
0.8235	Intermediate Similarity	NPC121615
0.8235	Intermediate Similarity	NPC75906
0.8235	Intermediate Similarity	NPC475777
0.8231	Intermediate Similarity	NPC205765
0.8228	Intermediate Similarity	NPC276551
0.8224	Intermediate Similarity	NPC196846
0.8224	Intermediate Similarity	NPC212257
0.8224	Intermediate Similarity	NPC476122
0.8217	Intermediate Similarity	NPC207978
0.8217	Intermediate Similarity	NPC188649
0.8217	Intermediate Similarity	NPC82851
0.8217	Intermediate Similarity	NPC472771
0.8217	Intermediate Similarity	NPC200782
0.8212	Intermediate Similarity	NPC471007
0.82	Intermediate Similarity	NPC233763
0.8194	Intermediate Similarity	NPC476947
0.8194	Intermediate Similarity	NPC107646
0.8194	Intermediate Similarity	NPC104736
0.8187	Intermediate Similarity	NPC296558
0.8182	Intermediate Similarity	NPC57998
0.8176	Intermediate Similarity	NPC121995
0.8176	Intermediate Similarity	NPC470875
0.817	Intermediate Similarity	NPC272590
0.8165	Intermediate Similarity	NPC663
0.8165	Intermediate Similarity	NPC224394
0.8165	Intermediate Similarity	NPC292389
0.8165	Intermediate Similarity	NPC288602
0.8165	Intermediate Similarity	NPC472773
0.8165	Intermediate Similarity	NPC469338
0.8165	Intermediate Similarity	NPC88841
0.8163	Intermediate Similarity	NPC90296
0.8158	Intermediate Similarity	NPC470998
0.8158	Intermediate Similarity	NPC69647
0.8158	Intermediate Similarity	NPC125182
0.8156	Intermediate Similarity	NPC198904
0.8146	Intermediate Similarity	NPC250228
0.8146	Intermediate Similarity	NPC255414
0.8146	Intermediate Similarity	NPC302987
0.8141	Intermediate Similarity	NPC194499
0.8141	Intermediate Similarity	NPC7059
0.8137	Intermediate Similarity	NPC44602
0.8129	Intermediate Similarity	NPC264943
0.8129	Intermediate Similarity	NPC141538
0.8129	Intermediate Similarity	NPC296807
0.8129	Intermediate Similarity	NPC472785
0.8129	Intermediate Similarity	NPC88958
0.8129	Intermediate Similarity	NPC469850
0.8129	Intermediate Similarity	NPC155939
0.8121	Intermediate Similarity	NPC205071
0.8117	Intermediate Similarity	NPC246164
0.8117	Intermediate Similarity	NPC476201
0.8117	Intermediate Similarity	NPC145830
0.8117	Intermediate Similarity	NPC470996
0.8113	Intermediate Similarity	NPC469849
0.8113	Intermediate Similarity	NPC476857
0.8113	Intermediate Similarity	NPC470940
0.8113	Intermediate Similarity	NPC476858
0.8113	Intermediate Similarity	NPC476856
0.8105	Intermediate Similarity	NPC470997
0.8105	Intermediate Similarity	NPC156189
0.8101	Intermediate Similarity	NPC18986
0.8101	Intermediate Similarity	NPC211777
0.8101	Intermediate Similarity	NPC79571
0.8101	Intermediate Similarity	NPC329938
0.8101	Intermediate Similarity	NPC68848
0.8092	Intermediate Similarity	NPC19747
0.8089	Intermediate Similarity	NPC475967
0.8089	Intermediate Similarity	NPC475226
0.8079	Intermediate Similarity	NPC470999
0.8077	Intermediate Similarity	NPC209364
0.8075	Intermediate Similarity	NPC160651
0.8075	Intermediate Similarity	NPC471397
0.8075	Intermediate Similarity	NPC271235
0.8067	Intermediate Similarity	NPC142113
0.8063	Intermediate Similarity	NPC93172
0.8063	Intermediate Similarity	NPC475779
0.8063	Intermediate Similarity	NPC97574
0.8058	Intermediate Similarity	NPC83115
0.8058	Intermediate Similarity	NPC130275
0.8056	Intermediate Similarity	NPC218838
0.805	Intermediate Similarity	NPC419
0.805	Intermediate Similarity	NPC283209
0.805	Intermediate Similarity	NPC198047
0.8039	Intermediate Similarity	NPC234494
0.8038	Intermediate Similarity	NPC472653
0.8038	Intermediate Similarity	NPC477402
0.8038	Intermediate Similarity	NPC472299
0.8038	Intermediate Similarity	NPC8389
0.8038	Intermediate Similarity	NPC475381
0.8038	Intermediate Similarity	NPC25255
0.8027	Intermediate Similarity	NPC476943
0.8026	Intermediate Similarity	NPC470941
0.8026	Intermediate Similarity	NPC71821
0.8026	Intermediate Similarity	NPC221809
0.8025	Intermediate Similarity	NPC472283
0.8025	Intermediate Similarity	NPC286722
0.8025	Intermediate Similarity	NPC195954
0.8025	Intermediate Similarity	NPC472778
0.8025	Intermediate Similarity	NPC45101
0.8025	Intermediate Similarity	NPC221992
0.8025	Intermediate Similarity	NPC472777
0.8025	Intermediate Similarity	NPC470995
0.8025	Intermediate Similarity	NPC88007
0.8025	Intermediate Similarity	NPC299038
0.8025	Intermediate Similarity	NPC472776
0.8013	Intermediate Similarity	NPC476262
0.8013	Intermediate Similarity	NPC214541
0.8013	Intermediate Similarity	NPC44675
0.8013	Intermediate Similarity	NPC281258
0.8012	Intermediate Similarity	NPC476853
0.8012	Intermediate Similarity	NPC173516
0.8012	Intermediate Similarity	NPC476861
0.8012	Intermediate Similarity	NPC472775
0.8012	Intermediate Similarity	NPC476850
0.8012	Intermediate Similarity	NPC472774
0.8	Intermediate Similarity	NPC472672
0.8	Intermediate Similarity	NPC230979
0.8	Intermediate Similarity	NPC267632
0.8	Intermediate Similarity	NPC33938
0.8	Intermediate Similarity	NPC470182
0.8	Intermediate Similarity	NPC123088
0.7987	Intermediate Similarity	NPC228842
0.7987	Intermediate Similarity	NPC470939
0.7987	Intermediate Similarity	NPC117986
0.7987	Intermediate Similarity	NPC96443

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC103134 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	254
0.1-0.2	1009
0.2-0.3	2096
0.3-0.4	2675
0.4-0.5	2039
0.5-0.6	808
0.6-0.7	262
0.7-0.8	16
0.8-0.85	2
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8487	Intermediate Similarity	NPD5761	Phase 2
0.8487	Intermediate Similarity	NPD5760	Phase 2
0.7812	Intermediate Similarity	NPD5537	Clinical (unspecified phase)
0.7602	Intermediate Similarity	NPD8434	Phase 2
0.729	Intermediate Similarity	NPD2800	Approved
0.7273	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7273	Intermediate Similarity	NPD2344	Approved
0.7273	Intermediate Similarity	NPD1471	Phase 3
0.7233	Intermediate Similarity	NPD6273	Approved
0.7186	Intermediate Similarity	NPD6959	Discontinued
0.711	Intermediate Similarity	NPD6764	Approved
0.711	Intermediate Similarity	NPD6765	Approved
0.7099	Intermediate Similarity	NPD3226	Approved
0.7091	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7089	Intermediate Similarity	NPD2309	Approved
0.703	Intermediate Similarity	NPD7819	Suspended
0.7025	Intermediate Similarity	NPD4628	Phase 3
0.7024	Intermediate Similarity	NPD5494	Approved
0.6987	Remote Similarity	NPD2796	Approved
0.6975	Remote Similarity	NPD920	Approved
0.6957	Remote Similarity	NPD2533	Approved
0.6957	Remote Similarity	NPD2532	Approved
0.6957	Remote Similarity	NPD2534	Approved
0.6949	Remote Similarity	NPD6785	Approved
0.6949	Remote Similarity	NPD6784	Approved
0.6943	Remote Similarity	NPD2346	Discontinued
0.6914	Remote Similarity	NPD6559	Discontinued
0.6905	Remote Similarity	NPD3749	Approved
0.6903	Remote Similarity	NPD6651	Approved
0.6882	Remote Similarity	NPD8127	Discontinued
0.6879	Remote Similarity	NPD7893	Clinical (unspecified phase)
0.6855	Remote Similarity	NPD7421	Clinical (unspecified phase)
0.6852	Remote Similarity	NPD7004	Clinical (unspecified phase)
0.6852	Remote Similarity	NPD642	Clinical (unspecified phase)
0.6852	Remote Similarity	NPD7410	Clinical (unspecified phase)
0.6852	Remote Similarity	NPD4378	Clinical (unspecified phase)
0.6848	Remote Similarity	NPD4380	Phase 2
0.6836	Remote Similarity	NPD8313	Approved
0.6836	Remote Similarity	NPD8312	Approved
0.6826	Remote Similarity	NPD2393	Clinical (unspecified phase)
0.6826	Remote Similarity	NPD7096	Clinical (unspecified phase)
0.6815	Remote Similarity	NPD2799	Discontinued
0.6807	Remote Similarity	NPD7411	Suspended
0.6792	Remote Similarity	NPD1549	Phase 2
0.6788	Remote Similarity	NPD7458	Discontinued
0.6772	Remote Similarity	NPD6100	Approved
0.6772	Remote Similarity	NPD6099	Approved
0.6758	Remote Similarity	NPD7879	Clinical (unspecified phase)
0.6753	Remote Similarity	NPD2313	Discontinued
0.6747	Remote Similarity	NPD6599	Discontinued
0.6746	Remote Similarity	NPD7768	Phase 2
0.673	Remote Similarity	NPD1550	Clinical (unspecified phase)
0.673	Remote Similarity	NPD1552	Clinical (unspecified phase)
0.6728	Remote Similarity	NPD7236	Approved
0.6728	Remote Similarity	NPD643	Clinical (unspecified phase)
0.6724	Remote Similarity	NPD7473	Discontinued
0.6708	Remote Similarity	NPD7003	Approved
0.6706	Remote Similarity	NPD7075	Discontinued
0.6706	Remote Similarity	NPD4381	Clinical (unspecified phase)
0.6686	Remote Similarity	NPD3818	Discontinued
0.6667	Remote Similarity	NPD6280	Approved
0.6667	Remote Similarity	NPD1934	Approved
0.6667	Remote Similarity	NPD3972	Approved
0.6667	Remote Similarity	NPD6166	Phase 2
0.6667	Remote Similarity	NPD6279	Approved
0.6667	Remote Similarity	NPD7852	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD6801	Discontinued
0.6667	Remote Similarity	NPD6168	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD6167	Clinical (unspecified phase)
0.6648	Remote Similarity	NPD5844	Phase 1
0.6647	Remote Similarity	NPD3882	Suspended
0.6646	Remote Similarity	NPD1243	Approved
0.6645	Remote Similarity	NPD1699	Clinical (unspecified phase)
0.6609	Remote Similarity	NPD3926	Phase 2
0.6604	Remote Similarity	NPD1510	Phase 2
0.6601	Remote Similarity	NPD2798	Approved
0.66	Remote Similarity	NPD1547	Clinical (unspecified phase)
0.6599	Remote Similarity	NPD8404	Phase 2
0.659	Remote Similarity	NPD1247	Approved
0.6588	Remote Similarity	NPD2296	Approved
0.6588	Remote Similarity	NPD5616	Clinical (unspecified phase)
0.6587	Remote Similarity	NPD5808	Clinical (unspecified phase)
0.6582	Remote Similarity	NPD1607	Approved
0.6577	Remote Similarity	NPD3412	Clinical (unspecified phase)
0.6568	Remote Similarity	NPD6844	Discontinued
0.6561	Remote Similarity	NPD1240	Approved
0.6557	Remote Similarity	NPD8397	Clinical (unspecified phase)
0.6554	Remote Similarity	NPD7804	Clinical (unspecified phase)
0.6552	Remote Similarity	NPD6232	Discontinued
0.655	Remote Similarity	NPD4868	Clinical (unspecified phase)
0.6545	Remote Similarity	NPD7422	Clinical (unspecified phase)
0.6529	Remote Similarity	NPD2801	Approved
0.6527	Remote Similarity	NPD7239	Suspended
0.6517	Remote Similarity	NPD7074	Phase 3
0.6503	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.6497	Remote Similarity	NPD8032	Phase 2
0.6497	Remote Similarity	NPD7799	Discontinued
0.6491	Remote Similarity	NPD5402	Approved
0.6485	Remote Similarity	NPD6799	Approved
0.6484	Remote Similarity	NPD8055	Clinical (unspecified phase)
0.6481	Remote Similarity	NPD970	Clinical (unspecified phase)
0.6474	Remote Similarity	NPD919	Approved
0.6471	Remote Similarity	NPD1876	Approved
0.6461	Remote Similarity	NPD7054	Approved
0.646	Remote Similarity	NPD1551	Phase 2
0.6457	Remote Similarity	NPD5710	Approved
0.6457	Remote Similarity	NPD5711	Approved
0.6457	Remote Similarity	NPD6808	Phase 2
0.6456	Remote Similarity	NPD4140	Approved
0.6447	Remote Similarity	NPD1608	Approved
0.6429	Remote Similarity	NPD1470	Approved
0.6425	Remote Similarity	NPD7472	Approved
0.6421	Remote Similarity	NPD6780	Approved
0.6421	Remote Similarity	NPD6777	Approved
0.6421	Remote Similarity	NPD6778	Approved
0.6421	Remote Similarity	NPD6781	Approved
0.6421	Remote Similarity	NPD6779	Approved
0.6421	Remote Similarity	NPD6782	Approved
0.6421	Remote Similarity	NPD6776	Approved
0.6415	Remote Similarity	NPD5735	Approved
0.6409	Remote Similarity	NPD4419	Clinical (unspecified phase)
0.6406	Remote Similarity	NPD7696	Phase 3
0.6406	Remote Similarity	NPD7698	Approved
0.6406	Remote Similarity	NPD7435	Discontinued
0.6406	Remote Similarity	NPD7697	Approved
0.6404	Remote Similarity	NPD3751	Discontinued
0.6404	Remote Similarity	NPD7177	Discontinued
0.6402	Remote Similarity	NPD3750	Approved
0.6398	Remote Similarity	NPD1509	Clinical (unspecified phase)
0.6398	Remote Similarity	NPD7033	Discontinued
0.6395	Remote Similarity	NPD3817	Phase 2
0.6389	Remote Similarity	NPD7993	Clinical (unspecified phase)
0.6386	Remote Similarity	NPD1511	Approved
0.6374	Remote Similarity	NPD37	Approved
0.6373	Remote Similarity	NPD7871	Phase 2
0.6373	Remote Similarity	NPD7870	Phase 2
0.6369	Remote Similarity	NPD5403	Approved
0.6364	Remote Similarity	NPD3787	Discontinued
0.6364	Remote Similarity	NPD7229	Phase 3
0.6359	Remote Similarity	NPD8150	Discontinued
0.6358	Remote Similarity	NPD4967	Phase 2
0.6358	Remote Similarity	NPD4966	Approved
0.6358	Remote Similarity	NPD4965	Approved
0.6358	Remote Similarity	NPD2935	Discontinued
0.6354	Remote Similarity	NPD7251	Discontinued
0.6354	Remote Similarity	NPD3057	Approved
0.6347	Remote Similarity	NPD5401	Approved
0.6335	Remote Similarity	NPD7097	Phase 1
0.6329	Remote Similarity	NPD3764	Approved
0.6319	Remote Similarity	NPD6002	Phase 3
0.6319	Remote Similarity	NPD6005	Phase 3
0.6319	Remote Similarity	NPD6004	Phase 3
0.6319	Remote Similarity	NPD6006	Clinical (unspecified phase)
0.6319	Remote Similarity	NPD7808	Phase 3
0.6319	Remote Similarity	NPD6003	Clinical (unspecified phase)
0.631	Remote Similarity	NPD1512	Approved
0.6306	Remote Similarity	NPD6832	Phase 2
0.6303	Remote Similarity	NPD8166	Discontinued
0.6303	Remote Similarity	NPD1878	Clinical (unspecified phase)
0.6299	Remote Similarity	NPD5327	Phase 3
0.6298	Remote Similarity	NPD6797	Phase 2
0.6296	Remote Similarity	NPD3748	Approved
0.6292	Remote Similarity	NPD4575	Clinical (unspecified phase)
0.6287	Remote Similarity	NPD7390	Discontinued
0.6279	Remote Similarity	NPD7577	Discontinued
0.6278	Remote Similarity	NPD7286	Phase 2
0.6276	Remote Similarity	NPD7701	Phase 2
0.6275	Remote Similarity	NPD1201	Approved
0.6269	Remote Similarity	NPD2972	Approved
0.6269	Remote Similarity	NPD3533	Approved
0.6263	Remote Similarity	NPD7801	Approved
0.6258	Remote Similarity	NPD6696	Suspended
0.625	Remote Similarity	NPD17	Approved
0.6244	Remote Similarity	NPD8151	Discontinued
0.6243	Remote Similarity	NPD8455	Phase 2
0.6243	Remote Similarity	NPD6534	Approved
0.6243	Remote Similarity	NPD6535	Approved
0.623	Remote Similarity	NPD4338	Clinical (unspecified phase)
0.623	Remote Similarity	NPD7699	Phase 2
0.623	Remote Similarity	NPD7700	Phase 2
0.6226	Remote Similarity	NPD6859	Clinical (unspecified phase)
0.6226	Remote Similarity	NPD6410	Clinical (unspecified phase)
0.6222	Remote Similarity	NPD7228	Approved
0.6212	Remote Similarity	NPD7874	Approved
0.6212	Remote Similarity	NPD7875	Clinical (unspecified phase)
0.6211	Remote Similarity	NPD6355	Discontinued
0.6209	Remote Similarity	NPD5953	Discontinued
0.6203	Remote Similarity	NPD4287	Approved
0.6198	Remote Similarity	NPD8285	Discontinued
0.6193	Remote Similarity	NPD6234	Discontinued
0.619	Remote Similarity	NPD6143	Clinical (unspecified phase)
0.6186	Remote Similarity	NPD6823	Phase 2
0.6186	Remote Similarity	NPD2491	Approved
0.6173	Remote Similarity	NPD6353	Approved
0.6171	Remote Similarity	NPD7058	Phase 2
0.6171	Remote Similarity	NPD7057	Phase 3
0.6164	Remote Similarity	NPD5952	Clinical (unspecified phase)
0.6164	Remote Similarity	NPD7008	Discontinued
0.6162	Remote Similarity	NPD8407	Phase 2
0.6159	Remote Similarity	NPD5404	Approved

Structure

NPC103134 OpenBabel07101718202D 28 32 0 0 1 0 0 0 0 0999 V2000 -5.3301 1.5000 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 -1.7321 2.0000 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 0.8660 0.5000 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 -3.4641 -0.0000 0.0000 C 0 0 0 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 -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 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 -1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 -0.1910 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 0.0000 -2.0000 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 -0.8660 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0000 1.0000 0.0000 C 0 0 2 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 -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 1 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 0.0000 -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 2.4049 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 22 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 7 18 1 0 0 0 0 8 22 1 0 0 0 0 9 23 1 0 0 0 0 10 24 1 0 0 0 0 11 17 1 0 0 0 0 11 20 1 0 0 0 0 12 19 1 0 0 0 0 12 21 1 0 0 0 0 13 15 2 0 0 0 0 13 28 1 0 0 0 0 14 16 2 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 25 1 0 0 0 0 17 26 2 0 0 0 0 18 22 1 0 0 0 0 18 23 1 1 0 0 0 19 23 1 1 0 0 0 19 24 1 0 0 0 0 20 24 1 1 0 0 0 20 25 1 0 0 0 0 21 25 1 1 0 0 0 21 27 1 0 0 0 0 23 3 1 1 0 0 0 24 4 1 1 0 0 0 25 5 1 1 0 0 0 M END $$$$

External Identifiers

PubChem CID	15538071
ChEMBL	CHEMBL457153
ZINC

Physicochemical Properties

Molecular Weight:	384.27
ALogP:	0.8547
MLogP:	3.88
XLogP:	7.045
# Rotatable Bonds:	6
Polar Surface Area:	50.44
# H-Bond Aceptor:	2
# H-Bond Donor:	1
# Rings:	5
# Heavy Atoms:	28

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