NPASS Natural Product

Natural Product: NPC474830

Natural Product ID:	NPC474830
Common Name:	Sarcotin J
IUPAC Name:	methyl (4Z,8S,9E,11E)-15-(furan-3-yl)-2-hydroxy-4,8,12-trimethylpentadeca-4,9,11-trienoate
Synonyms:	Sarcotin J
Molecular Formula:	C23H34O4
Standard InCHIKey:	JHGCSAXOTKATLR-SNZVDEBFSA-N
Standard InCHI:	InChI=1S/C23H34O4/c1-18(10-6-12-20(3)16-22(24)23(25)26-4)8-5-9-19(2)11-7-13-21-14-15-27-17-21/h5,8-9,12,14-15,17-18,22,24H,6-7,10-11,13,16H2,1-4H3/b8-5+,19-9+,20-12-/t18-,22?/m1/s1
Canonical SMILES:	COC(=O)C(C/C(=CCC[C@@H](/C=C/C=C(/CCCc1cocc1)C)C)/C)O
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
NPO33064	sarcotragus sp.	Species	Irciniidae	Eukaryota				PMID[12350153]

Biological Activity

Activity Type	# Activity
ED50	5

Activity Type	# Activity
Cell Line	5

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT146	Cell Line	SK-OV-3	Homo sapiens	ED50	=	10	ug/ml	22506638
NPT81	Cell Line	A549	Homo sapiens	ED50	=	18.1	ug/ml	20457818
NPT147	Cell Line	SK-MEL-2	Homo sapiens	ED50	=	7.8	ug/ml	20457818
NPT148	Cell Line	HCT-15	Homo sapiens	ED50	=	8.7	ug/ml	21111625
NPT574	Cell Line	XF498	Homo sapiens	ED50	=	24.3	ug/ml	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 NPC474830 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	164
0.1-0.2	718
0.2-0.3	2014
0.3-0.4	4915
0.4-0.5	8659
0.5-0.6	6384
0.6-0.7	7281
0.7-0.8	656
0.8-0.85	56
0.85-0.9	15
0.9-0.95	22
0.95-1	5

Similarity Score	Similarity Level	Natural Product ID
0.9832	High Similarity	NPC474829
0.9587	High Similarity	NPC474260
0.9587	High Similarity	NPC329922
0.9587	High Similarity	NPC81912
0.9587	High Similarity	NPC329694
0.935	High Similarity	NPC476016
0.9344	High Similarity	NPC75557
0.9344	High Similarity	NPC71274
0.9339	High Similarity	NPC475818
0.9274	High Similarity	NPC474279
0.9274	High Similarity	NPC474438
0.918	High Similarity	NPC476351
0.916	High Similarity	NPC144745
0.916	High Similarity	NPC208906
0.9098	High Similarity	NPC283284
0.9098	High Similarity	NPC289911
0.9091	High Similarity	NPC474817
0.9062	High Similarity	NPC474426
0.9062	High Similarity	NPC474407
0.9062	High Similarity	NPC474425
0.9055	High Similarity	NPC17681
0.904	High Similarity	NPC471554
0.904	High Similarity	NPC471501
0.904	High Similarity	NPC473355
0.904	High Similarity	NPC471573
0.9032	High Similarity	NPC471559
0.9016	High Similarity	NPC474136
0.8984	High Similarity	NPC97740
0.8943	High Similarity	NPC471549
0.8943	High Similarity	NPC473379
0.8852	High Similarity	NPC473969
0.8837	High Similarity	NPC45358
0.8712	High Similarity	NPC303217
0.8689	High Similarity	NPC131801
0.8651	High Similarity	NPC243269
0.8594	High Similarity	NPC137570
0.8583	High Similarity	NPC1811
0.8583	High Similarity	NPC26157
0.855	High Similarity	NPC473982
0.8519	High Similarity	NPC107571
0.8507	High Similarity	NPC170604
0.8507	High Similarity	NPC215109
0.8492	Intermediate Similarity	NPC477967
0.8473	Intermediate Similarity	NPC89133
0.8413	Intermediate Similarity	NPC1848
0.8409	Intermediate Similarity	NPC471545
0.8409	Intermediate Similarity	NPC473344
0.8409	Intermediate Similarity	NPC471817
0.8409	Intermediate Similarity	NPC471544
0.8403	Intermediate Similarity	NPC471521
0.8403	Intermediate Similarity	NPC473356
0.8372	Intermediate Similarity	NPC138139
0.8372	Intermediate Similarity	NPC46536
0.837	Intermediate Similarity	NPC473268
0.8359	Intermediate Similarity	NPC118853
0.8358	Intermediate Similarity	NPC14650
0.8347	Intermediate Similarity	NPC105249
0.8346	Intermediate Similarity	NPC263870
0.8333	Intermediate Similarity	NPC177331
0.832	Intermediate Similarity	NPC21831
0.832	Intermediate Similarity	NPC187547
0.8308	Intermediate Similarity	NPC83178
0.8284	Intermediate Similarity	NPC288209
0.8268	Intermediate Similarity	NPC79557
0.8244	Intermediate Similarity	NPC207294
0.8244	Intermediate Similarity	NPC112706
0.8226	Intermediate Similarity	NPC28054
0.8222	Intermediate Similarity	NPC476947
0.8217	Intermediate Similarity	NPC188377
0.8217	Intermediate Similarity	NPC65735
0.8214	Intermediate Similarity	NPC137295
0.8209	Intermediate Similarity	NPC218838
0.8154	Intermediate Similarity	NPC179354
0.814	Intermediate Similarity	NPC16922
0.8116	Intermediate Similarity	NPC90953
0.811	Intermediate Similarity	NPC4898
0.8095	Intermediate Similarity	NPC312525
0.8095	Intermediate Similarity	NPC217180
0.8092	Intermediate Similarity	NPC23086
0.8077	Intermediate Similarity	NPC477965
0.8077	Intermediate Similarity	NPC477038
0.8062	Intermediate Similarity	NPC317217
0.806	Intermediate Similarity	NPC61788
0.8058	Intermediate Similarity	NPC201370
0.8058	Intermediate Similarity	NPC473983
0.8056	Intermediate Similarity	NPC234494
0.8056	Intermediate Similarity	NPC69647
0.8056	Intermediate Similarity	NPC125182
0.8031	Intermediate Similarity	NPC291619
0.8031	Intermediate Similarity	NPC254958
0.8031	Intermediate Similarity	NPC243704
0.8027	Intermediate Similarity	NPC281258
0.8016	Intermediate Similarity	NPC45536
0.8014	Intermediate Similarity	NPC474378
0.8014	Intermediate Similarity	NPC294511
0.8014	Intermediate Similarity	NPC474219
0.8014	Intermediate Similarity	NPC147168
0.8014	Intermediate Similarity	NPC121615
0.7972	Intermediate Similarity	NPC104924
0.7971	Intermediate Similarity	NPC186626
0.797	Intermediate Similarity	NPC26532
0.7958	Intermediate Similarity	NPC261733
0.7958	Intermediate Similarity	NPC218712
0.7958	Intermediate Similarity	NPC307346
0.7958	Intermediate Similarity	NPC267004
0.7956	Intermediate Similarity	NPC159786
0.7955	Intermediate Similarity	NPC74612
0.7953	Intermediate Similarity	NPC227660
0.7943	Intermediate Similarity	NPC121158
0.7941	Intermediate Similarity	NPC470740
0.7937	Intermediate Similarity	NPC205523
0.7937	Intermediate Similarity	NPC150895
0.7929	Intermediate Similarity	NPC282973
0.7926	Intermediate Similarity	NPC298190
0.7919	Intermediate Similarity	NPC45101
0.7917	Intermediate Similarity	NPC255414
0.791	Intermediate Similarity	NPC208389
0.791	Intermediate Similarity	NPC223063
0.791	Intermediate Similarity	NPC120836
0.7895	Intermediate Similarity	NPC319140
0.7895	Intermediate Similarity	NPC246392
0.7895	Intermediate Similarity	NPC95567
0.7891	Intermediate Similarity	NPC33938
0.7891	Intermediate Similarity	NPC44577
0.7887	Intermediate Similarity	NPC80635
0.7887	Intermediate Similarity	NPC476946
0.7887	Intermediate Similarity	NPC254198
0.7883	Intermediate Similarity	NPC106247
0.7877	Intermediate Similarity	NPC470997
0.7874	Intermediate Similarity	NPC474987
0.7874	Intermediate Similarity	NPC476014
0.7874	Intermediate Similarity	NPC476031
0.7867	Intermediate Similarity	NPC472779
0.7862	Intermediate Similarity	NPC7388
0.7857	Intermediate Similarity	NPC202260
0.7852	Intermediate Similarity	NPC469485
0.7838	Intermediate Similarity	NPC253201
0.7838	Intermediate Similarity	NPC34421
0.7838	Intermediate Similarity	NPC237259
0.7838	Intermediate Similarity	NPC302054
0.7838	Intermediate Similarity	NPC98206
0.7836	Intermediate Similarity	NPC477966
0.7836	Intermediate Similarity	NPC477123
0.7836	Intermediate Similarity	NPC477039
0.7836	Intermediate Similarity	NPC329707
0.7836	Intermediate Similarity	NPC477040
0.7832	Intermediate Similarity	NPC476944
0.7826	Intermediate Similarity	NPC92941
0.7817	Intermediate Similarity	NPC52412
0.7815	Intermediate Similarity	NPC470789
0.7815	Intermediate Similarity	NPC477402
0.7803	Intermediate Similarity	NPC130275
0.7801	Intermediate Similarity	NPC90296
0.7801	Intermediate Similarity	NPC67003
0.78	Intermediate Similarity	NPC472778
0.78	Intermediate Similarity	NPC472776
0.78	Intermediate Similarity	NPC173544
0.78	Intermediate Similarity	NPC472777
0.78	Intermediate Similarity	NPC194499
0.7794	Intermediate Similarity	NPC136340
0.7793	Intermediate Similarity	NPC216755
0.7793	Intermediate Similarity	NPC471174
0.7785	Intermediate Similarity	NPC214541
0.7785	Intermediate Similarity	NPC44675
0.7785	Intermediate Similarity	NPC155939
0.7785	Intermediate Similarity	NPC296807
0.7785	Intermediate Similarity	NPC141538
0.7778	Intermediate Similarity	NPC195920
0.7778	Intermediate Similarity	NPC5676
0.7778	Intermediate Similarity	NPC34056
0.777	Intermediate Similarity	NPC472672
0.777	Intermediate Similarity	NPC246164
0.777	Intermediate Similarity	NPC146872
0.7763	Intermediate Similarity	NPC263432
0.7763	Intermediate Similarity	NPC69028
0.7762	Intermediate Similarity	NPC267632
0.7762	Intermediate Similarity	NPC243577
0.7762	Intermediate Similarity	NPC22248
0.7761	Intermediate Similarity	NPC290955
0.7755	Intermediate Similarity	NPC228842
0.7748	Intermediate Similarity	NPC475967
0.774	Intermediate Similarity	NPC471007
0.7734	Intermediate Similarity	NPC76844
0.7724	Intermediate Similarity	NPC475864
0.7721	Intermediate Similarity	NPC476925
0.7721	Intermediate Similarity	NPC21460
0.7714	Intermediate Similarity	NPC470742
0.7714	Intermediate Similarity	NPC310830
0.7712	Intermediate Similarity	NPC477405
0.7708	Intermediate Similarity	NPC251865
0.7704	Intermediate Similarity	NPC476917
0.7704	Intermediate Similarity	NPC327527
0.7703	Intermediate Similarity	NPC272590
0.7697	Intermediate Similarity	NPC335761
0.7687	Intermediate Similarity	NPC472654
0.7682	Intermediate Similarity	NPC197137
0.7682	Intermediate Similarity	NPC261597
0.7682	Intermediate Similarity	NPC7059
0.7682	Intermediate Similarity	NPC88007
0.7676	Intermediate Similarity	NPC148374

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC474830 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	172
0.1-0.2	701
0.2-0.3	1855
0.3-0.4	2553
0.4-0.5	2292
0.5-0.6	1190
0.6-0.7	362
0.7-0.8	36
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
0.7754	Intermediate Similarity	NPD6355	Discontinued
0.7606	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7569	Intermediate Similarity	NPD4628	Phase 3
0.7536	Intermediate Similarity	NPD6798	Discontinued
0.7372	Intermediate Similarity	NPD5647	Approved
0.7357	Intermediate Similarity	NPD6233	Phase 2
0.7357	Intermediate Similarity	NPD4062	Phase 3
0.7273	Intermediate Similarity	NPD9092	Discovery
0.7266	Intermediate Similarity	NPD6832	Phase 2
0.7208	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7206	Intermediate Similarity	NPD9717	Approved
0.7203	Intermediate Similarity	NPD6653	Approved
0.7181	Intermediate Similarity	NPD6799	Approved
0.7169	Intermediate Similarity	NPD8434	Phase 2
0.7162	Intermediate Similarity	NPD2354	Approved
0.7162	Intermediate Similarity	NPD3887	Approved
0.7152	Intermediate Similarity	NPD5403	Approved
0.7133	Intermediate Similarity	NPD5401	Approved
0.7103	Intermediate Similarity	NPD2799	Discontinued
0.7097	Intermediate Similarity	NPD5760	Phase 2
0.7097	Intermediate Similarity	NPD5761	Phase 2
0.7086	Intermediate Similarity	NPD6273	Approved
0.7075	Intermediate Similarity	NPD5958	Discontinued
0.7073	Intermediate Similarity	NPD6765	Approved
0.7073	Intermediate Similarity	NPD6764	Approved
0.707	Intermediate Similarity	NPD7075	Discontinued
0.705	Intermediate Similarity	NPD2797	Approved
0.705	Intermediate Similarity	NPD6362	Approved
0.7045	Intermediate Similarity	NPD690	Clinical (unspecified phase)
0.7032	Intermediate Similarity	NPD6801	Discontinued
0.7027	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7023	Intermediate Similarity	NPD7843	Approved
0.7013	Intermediate Similarity	NPD6599	Discontinued
0.7007	Intermediate Similarity	NPD5763	Approved
0.7007	Intermediate Similarity	NPD5762	Approved
0.7	Intermediate Similarity	NPD2181	Clinical (unspecified phase)
0.6977	Remote Similarity	NPD2684	Approved
0.6974	Remote Similarity	NPD5049	Phase 3
0.6972	Remote Similarity	NPD7095	Approved
0.697	Remote Similarity	NPD1241	Discontinued
0.6959	Remote Similarity	NPD4534	Discontinued
0.6929	Remote Similarity	NPD1203	Approved
0.6929	Remote Similarity	NPD1049	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD3268	Approved
0.6923	Remote Similarity	NPD2313	Discontinued
0.6923	Remote Similarity	NPD2067	Discontinued
0.6905	Remote Similarity	NPD6784	Approved
0.6905	Remote Similarity	NPD6785	Approved
0.6899	Remote Similarity	NPD1358	Approved
0.6897	Remote Similarity	NPD447	Suspended
0.6892	Remote Similarity	NPD6004	Phase 3
0.6892	Remote Similarity	NPD2355	Clinical (unspecified phase)
0.6892	Remote Similarity	NPD6006	Clinical (unspecified phase)
0.6892	Remote Similarity	NPD6005	Phase 3
0.6892	Remote Similarity	NPD2353	Approved
0.6892	Remote Similarity	NPD6003	Clinical (unspecified phase)
0.6892	Remote Similarity	NPD6002	Phase 3
0.6884	Remote Similarity	NPD1547	Clinical (unspecified phase)
0.6879	Remote Similarity	NPD1019	Discontinued
0.6871	Remote Similarity	NPD4308	Phase 3
0.6867	Remote Similarity	NPD4109	Clinical (unspecified phase)
0.6867	Remote Similarity	NPD4110	Phase 3
0.6867	Remote Similarity	NPD6559	Discontinued
0.6866	Remote Similarity	NPD7157	Approved
0.6839	Remote Similarity	NPD5808	Clinical (unspecified phase)
0.6838	Remote Similarity	NPD1894	Discontinued
0.6838	Remote Similarity	NPD9545	Approved
0.6835	Remote Similarity	NPD5402	Approved
0.6835	Remote Similarity	NPD1608	Approved
0.6831	Remote Similarity	NPD9494	Approved
0.6828	Remote Similarity	NPD4060	Phase 1
0.6824	Remote Similarity	NPD1551	Phase 2
0.6824	Remote Similarity	NPD2239	Approved
0.6824	Remote Similarity	NPD2240	Approved
0.6822	Remote Similarity	NPD3134	Approved
0.6813	Remote Similarity	NPD919	Approved
0.681	Remote Similarity	NPD4575	Clinical (unspecified phase)
0.6806	Remote Similarity	NPD6859	Clinical (unspecified phase)
0.6803	Remote Similarity	NPD7097	Phase 1
0.6797	Remote Similarity	NPD4662	Approved
0.6797	Remote Similarity	NPD4661	Approved
0.6791	Remote Similarity	NPD2629	Approved
0.6781	Remote Similarity	NPD1933	Approved
0.6779	Remote Similarity	NPD2344	Approved
0.6776	Remote Similarity	NPD7440	Discontinued
0.6769	Remote Similarity	NPD290	Approved
0.6761	Remote Similarity	NPD2798	Approved
0.6757	Remote Similarity	NPD7033	Discontinued
0.6731	Remote Similarity	NPD7458	Discontinued
0.6712	Remote Similarity	NPD4307	Phase 2
0.6711	Remote Similarity	NPD2935	Discontinued
0.6711	Remote Similarity	NPD1501	Clinical (unspecified phase)
0.671	Remote Similarity	NPD920	Approved
0.6708	Remote Similarity	NPD5537	Clinical (unspecified phase)
0.6691	Remote Similarity	NPD9493	Approved
0.6691	Remote Similarity	NPD3496	Discontinued
0.669	Remote Similarity	NPD411	Approved
0.669	Remote Similarity	NPD987	Approved
0.669	Remote Similarity	NPD3267	Approved
0.669	Remote Similarity	NPD3266	Approved
0.6687	Remote Similarity	NPD3882	Suspended
0.6667	Remote Similarity	NPD1899	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD2346	Discontinued
0.6667	Remote Similarity	NPD1471	Phase 3
0.6667	Remote Similarity	NPD643	Clinical (unspecified phase)
0.6646	Remote Similarity	NPD958	Approved
0.6646	Remote Similarity	NPD6677	Suspended
0.6643	Remote Similarity	NPD6007	Clinical (unspecified phase)
0.6627	Remote Similarity	NPD2163	Approved
0.6626	Remote Similarity	NPD8127	Discontinued
0.6625	Remote Similarity	NPD3817	Phase 2
0.6623	Remote Similarity	NPD2424	Discontinued
0.6623	Remote Similarity	NPD2897	Discontinued
0.6623	Remote Similarity	NPD6143	Clinical (unspecified phase)
0.6621	Remote Similarity	NPD5952	Clinical (unspecified phase)
0.6621	Remote Similarity	NPD2598	Clinical (unspecified phase)
0.662	Remote Similarity	NPD1876	Approved
0.6619	Remote Similarity	NPD17	Approved
0.6619	Remote Similarity	NPD1778	Approved
0.6601	Remote Similarity	NPD2309	Approved
0.6596	Remote Similarity	NPD3972	Approved
0.6596	Remote Similarity	NPD1481	Phase 2
0.6591	Remote Similarity	NPD2182	Approved
0.6584	Remote Similarity	NPD4868	Clinical (unspecified phase)
0.6581	Remote Similarity	NPD642	Clinical (unspecified phase)
0.6581	Remote Similarity	NPD7004	Clinical (unspecified phase)
0.6575	Remote Similarity	NPD3764	Approved
0.6571	Remote Similarity	NPD3847	Discontinued
0.6562	Remote Similarity	NPD1006	Clinical (unspecified phase)
0.6562	Remote Similarity	NPD7819	Suspended
0.6554	Remote Similarity	NPD4340	Discontinued
0.6552	Remote Similarity	NPD2614	Approved
0.6547	Remote Similarity	NPD5585	Approved
0.6543	Remote Similarity	NPD4381	Clinical (unspecified phase)
0.6541	Remote Similarity	NPD7411	Suspended
0.6536	Remote Similarity	NPD7003	Approved
0.6536	Remote Similarity	NPD1878	Clinical (unspecified phase)
0.6536	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.6536	Remote Similarity	NPD3750	Approved
0.6535	Remote Similarity	NPD9495	Approved
0.6525	Remote Similarity	NPD1535	Discovery
0.6519	Remote Similarity	NPD2649	Approved
0.6519	Remote Similarity	NPD2651	Approved
0.6519	Remote Similarity	NPD5535	Approved
0.6513	Remote Similarity	NPD1549	Phase 2
0.6503	Remote Similarity	NPD1283	Approved
0.649	Remote Similarity	NPD5712	Approved
0.649	Remote Similarity	NPD6032	Approved
0.649	Remote Similarity	NPD4477	Approved
0.649	Remote Similarity	NPD4476	Approved
0.649	Remote Similarity	NPD2796	Approved
0.649	Remote Similarity	NPD2438	Suspended
0.6488	Remote Similarity	NPD7804	Clinical (unspecified phase)
0.6486	Remote Similarity	NPD4140	Approved
0.6486	Remote Similarity	NPD3142	Approved
0.6486	Remote Similarity	NPD3140	Approved
0.6483	Remote Similarity	NPD454	Approved
0.6481	Remote Similarity	NPD7768	Phase 2
0.6478	Remote Similarity	NPD4380	Phase 2
0.6474	Remote Similarity	NPD4378	Clinical (unspecified phase)
0.6471	Remote Similarity	NPD1243	Approved
0.6471	Remote Similarity	NPD2976	Clinical (unspecified phase)
0.6463	Remote Similarity	NPD1048	Approved
0.6462	Remote Similarity	NPD6647	Phase 2
0.646	Remote Similarity	NPD8455	Phase 2
0.6456	Remote Similarity	NPD957	Approved
0.6447	Remote Similarity	NPD1550	Clinical (unspecified phase)
0.6447	Remote Similarity	NPD6800	Clinical (unspecified phase)
0.6447	Remote Similarity	NPD1552	Clinical (unspecified phase)
0.6444	Remote Similarity	NPD969	Suspended
0.6443	Remote Similarity	NPD4618	Approved
0.6443	Remote Similarity	NPD4622	Approved
0.6434	Remote Similarity	NPD3685	Discontinued
0.6429	Remote Similarity	NPD3818	Discontinued
0.6424	Remote Similarity	NPD1247	Approved
0.6424	Remote Similarity	NPD3748	Approved
0.642	Remote Similarity	NPD5616	Clinical (unspecified phase)
0.6419	Remote Similarity	NPD8032	Phase 2
0.6412	Remote Similarity	NPD7993	Clinical (unspecified phase)
0.6412	Remote Similarity	NPD1237	Approved
0.6407	Remote Similarity	NPD6167	Clinical (unspecified phase)
0.6407	Remote Similarity	NPD6166	Phase 2
0.6407	Remote Similarity	NPD6168	Clinical (unspecified phase)
0.6405	Remote Similarity	NPD7596	Clinical (unspecified phase)
0.6402	Remote Similarity	NPD6315	Phase 2
0.6398	Remote Similarity	NPD6844	Discontinued
0.6398	Remote Similarity	NPD1934	Approved
0.6395	Remote Similarity	NPD8312	Approved
0.6395	Remote Similarity	NPD8313	Approved
0.6392	Remote Similarity	NPD6980	Clinical (unspecified phase)
0.6391	Remote Similarity	NPD5844	Phase 1
0.6389	Remote Similarity	NPD3225	Approved
0.6386	Remote Similarity	NPD6808	Phase 2
0.6376	Remote Similarity	NPD7966	Clinical (unspecified phase)
0.6376	Remote Similarity	NPD2979	Phase 3
0.6369	Remote Similarity	NPD7446	Clinical (unspecified phase)
0.6364	Remote Similarity	NPD9697	Approved
0.6364	Remote Similarity	NPD1652	Phase 2
0.6358	Remote Similarity	NPD7972	Discontinued
0.6358	Remote Similarity	NPD5689	Approved

Structure

NPC474830 OpenBabel07101719142D 27 27 0 0 1 0 0 0 0 0999 V2000 -5.6537 -2.7388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6701 -3.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9993 -5.8703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9829 -5.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8457 -4.6704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8292 -4.3568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6810 -3.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2524 -3.7568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8511 -4.7749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8347 -4.4613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2688 -4.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4170 -5.1658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0878 -2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -1.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 -0.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8183 -4.1477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8090 -0.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2469 -3.6523 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2634 -3.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4115 -5.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -1.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8128 -4.0432 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -10.4006 -4.8522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2195 -3.1297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9938 -5.7658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.3951 -4.7477 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 19 1 0 0 0 0 3 20 1 0 0 0 0 4 26 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 8 18 1 0 0 0 0 9 19 2 0 0 0 0 10 18 1 0 0 0 0 11 19 1 0 0 0 0 12 20 2 0 0 0 0 13 21 1 0 0 0 0 14 15 2 0 0 0 0 14 21 1 0 0 0 0 15 27 1 0 0 0 0 16 20 1 0 0 0 0 16 22 1 0 0 0 0 17 21 2 0 0 0 0 17 27 1 0 0 0 0 18 1 1 6 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	10959715
ChEMBL	CHEMBL484250
ZINC

Physicochemical Properties

Molecular Weight:	374.25
ALogP:	2.0797
MLogP:	3.55
XLogP:	5.72
# Rotatable Bonds:	18
Polar Surface Area:	59.67
# H-Bond Aceptor:	3
# H-Bond Donor:	1
# Rings:	1
# Heavy Atoms:	27

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