NPASS Natural Product

Natural Product: NPC474817

Natural Product ID:	NPC474817
Common Name:	Sarcotin C
IUPAC Name:	(2R)-2-[(2Z,7E,10E)-13-(furan-3-yl)-2,6,10-trimethyltrideca-2,7,10-trienyl]-3-hydroxy-4-methyl-2H-furan-5-one
Synonyms:	Sarcotin C
Molecular Formula:	C25H34O4
Standard InCHIKey:	OJTFYUFDQRBGAU-IXVDSDOXSA-N
Standard InCHI:	InChI=1S/C25H34O4/c1-18(8-5-9-19(2)11-7-13-22-14-15-28-17-22)10-6-12-20(3)16-23-24(26)21(4)25(27)29-23/h5,8,11-12,14-15,17-18,23,26H,6-7,9-10,13,16H2,1-4H3/b8-5+,19-11+,20-12-/t18?,23-/m1/s1
Canonical SMILES:	CC(CC/C=C(C[C@H]1OC(=O)C(=C1O)C)/C)/C=C/C/C(=C/CCc1cocc1)/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
NPO33064	sarcotragus sp.	Species	Irciniidae	Eukaryota				PMID[11678655]

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
NPT147	Cell Line	SK-MEL-2	Homo sapiens	ED50	=	16.31	ug/ml	12502308
NPT146	Cell Line	SK-OV-3	Homo sapiens	ED50	=	26.84	ug/ml	22304344
NPT81	Cell Line	A549	Homo sapiens	ED50	=	16.89	ug/ml	Open TG-GATES in vivo data: Hematology
NPT574	Cell Line	XF498	Homo sapiens	ED50	=	20.4	ug/ml	DrugMatrix in vitro pharmacology data
NPT148	Cell Line	HCT-15	Homo sapiens	ED50	=	27.49	ug/ml	10.6019/CHEMBL1201861

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 NPC474817 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	159
0.1-0.2	716
0.2-0.3	2653
0.3-0.4	6381
0.4-0.5	8409
0.5-0.6	8283
0.6-0.7	3836
0.7-0.8	391
0.8-0.85	16
0.85-0.9	27
0.9-0.95	16
0.95-1	2

Similarity Score	Similarity Level	Natural Product ID
0.9739	High Similarity	NPC475818
0.9565	High Similarity	NPC474136
0.9492	High Similarity	NPC329694
0.9492	High Similarity	NPC474260
0.9492	High Similarity	NPC329922
0.9492	High Similarity	NPC81912
0.9483	High Similarity	NPC283284
0.9483	High Similarity	NPC289911
0.9412	High Similarity	NPC476016
0.9402	High Similarity	NPC476351
0.9244	High Similarity	NPC71274
0.9244	High Similarity	NPC75557
0.9174	High Similarity	NPC474279
0.9174	High Similarity	NPC474438
0.9115	High Similarity	NPC26157
0.9115	High Similarity	NPC1811
0.9091	High Similarity	NPC474830
0.9052	High Similarity	NPC131801
0.8929	High Similarity	NPC471521
0.8929	High Similarity	NPC473356
0.8926	High Similarity	NPC471559
0.8926	High Similarity	NPC474829
0.8898	High Similarity	NPC473969
0.8889	High Similarity	NPC144745
0.8889	High Similarity	NPC208906
0.886	High Similarity	NPC105249
0.88	High Similarity	NPC17681
0.878	High Similarity	NPC471573
0.878	High Similarity	NPC471501
0.878	High Similarity	NPC473355
0.878	High Similarity	NPC471554
0.8739	High Similarity	NPC4898
0.873	High Similarity	NPC97740
0.8684	High Similarity	NPC177331
0.8678	High Similarity	NPC473379
0.8678	High Similarity	NPC471549
0.8655	High Similarity	NPC187547
0.8655	High Similarity	NPC21831
0.8595	High Similarity	NPC1848
0.8594	High Similarity	NPC288209
0.8583	High Similarity	NPC45358
0.8527	High Similarity	NPC14650
0.8516	High Similarity	NPC474407
0.8516	High Similarity	NPC474426
0.8516	High Similarity	NPC474425
0.848	Intermediate Similarity	NPC137570
0.8397	Intermediate Similarity	NPC170604
0.8397	Intermediate Similarity	NPC215109
0.8374	Intermediate Similarity	NPC263870
0.824	Intermediate Similarity	NPC243269
0.8182	Intermediate Similarity	NPC303217
0.811	Intermediate Similarity	NPC138139
0.811	Intermediate Similarity	NPC46536
0.8099	Intermediate Similarity	NPC28054
0.808	Intermediate Similarity	NPC477967
0.8077	Intermediate Similarity	NPC89133
0.8047	Intermediate Similarity	NPC83178
0.8015	Intermediate Similarity	NPC471544
0.8015	Intermediate Similarity	NPC473344
0.8015	Intermediate Similarity	NPC471545
0.8	Intermediate Similarity	NPC107571
0.7984	Intermediate Similarity	NPC112706
0.7984	Intermediate Similarity	NPC207294
0.7953	Intermediate Similarity	NPC118853
0.7953	Intermediate Similarity	NPC188377
0.7953	Intermediate Similarity	NPC65735
0.7891	Intermediate Similarity	NPC179354
0.7879	Intermediate Similarity	NPC471817
0.7874	Intermediate Similarity	NPC16922
0.7868	Intermediate Similarity	NPC90953
0.7857	Intermediate Similarity	NPC79557
0.7852	Intermediate Similarity	NPC473268
0.7842	Intermediate Similarity	NPC307346
0.7842	Intermediate Similarity	NPC261733
0.7842	Intermediate Similarity	NPC267004
0.7842	Intermediate Similarity	NPC218712
0.7836	Intermediate Similarity	NPC159786
0.7836	Intermediate Similarity	NPC476947
0.7823	Intermediate Similarity	NPC312525
0.7823	Intermediate Similarity	NPC217180
0.782	Intermediate Similarity	NPC218838
0.7817	Intermediate Similarity	NPC234494
0.7812	Intermediate Similarity	NPC477038
0.7812	Intermediate Similarity	NPC477965
0.7803	Intermediate Similarity	NPC298190
0.7795	Intermediate Similarity	NPC317217
0.7769	Intermediate Similarity	NPC319140
0.7769	Intermediate Similarity	NPC95567
0.776	Intermediate Similarity	NPC243704
0.776	Intermediate Similarity	NPC291619
0.776	Intermediate Similarity	NPC254958
0.7744	Intermediate Similarity	NPC473982
0.7742	Intermediate Similarity	NPC45536
0.7731	Intermediate Similarity	NPC140688
0.773	Intermediate Similarity	NPC104924
0.7724	Intermediate Similarity	NPC292036
0.7721	Intermediate Similarity	NPC186626
0.7704	Intermediate Similarity	NPC92941
0.7698	Intermediate Similarity	NPC121158
0.7692	Intermediate Similarity	NPC74612
0.7692	Intermediate Similarity	NPC23086
0.7692	Intermediate Similarity	NPC69647
0.7692	Intermediate Similarity	NPC125182
0.768	Intermediate Similarity	NPC227660
0.7676	Intermediate Similarity	NPC255414
0.7669	Intermediate Similarity	NPC61788
0.7669	Intermediate Similarity	NPC136340
0.7661	Intermediate Similarity	NPC205523
0.7661	Intermediate Similarity	NPC150895
0.7656	Intermediate Similarity	NPC174915
0.7656	Intermediate Similarity	NPC270807
0.7655	Intermediate Similarity	NPC33938
0.7647	Intermediate Similarity	NPC146872
0.7643	Intermediate Similarity	NPC80635
0.7643	Intermediate Similarity	NPC254198
0.7643	Intermediate Similarity	NPC267632
0.7639	Intermediate Similarity	NPC470997
0.7622	Intermediate Similarity	NPC7388
0.7603	Intermediate Similarity	NPC98206
0.7603	Intermediate Similarity	NPC34421
0.7603	Intermediate Similarity	NPC253201
0.7603	Intermediate Similarity	NPC237259
0.7603	Intermediate Similarity	NPC302054
0.76	Intermediate Similarity	NPC476014
0.76	Intermediate Similarity	NPC476031
0.7594	Intermediate Similarity	NPC21460
0.7591	Intermediate Similarity	NPC470742
0.7589	Intermediate Similarity	NPC251865
0.7589	Intermediate Similarity	NPC137295
0.7576	Intermediate Similarity	NPC477040
0.7576	Intermediate Similarity	NPC477966
0.7576	Intermediate Similarity	NPC477123
0.7576	Intermediate Similarity	NPC477039
0.7559	Intermediate Similarity	NPC67345
0.7559	Intermediate Similarity	NPC244862
0.7557	Intermediate Similarity	NPC216810
0.7556	Intermediate Similarity	NPC470740
0.7554	Intermediate Similarity	NPC56197
0.7552	Intermediate Similarity	NPC216755
0.7552	Intermediate Similarity	NPC471174
0.7551	Intermediate Similarity	NPC296807
0.7551	Intermediate Similarity	NPC155939
0.7551	Intermediate Similarity	NPC141538
0.7538	Intermediate Similarity	NPC130275
0.7536	Intermediate Similarity	NPC236532
0.7535	Intermediate Similarity	NPC34056
0.7534	Intermediate Similarity	NPC121615
0.7534	Intermediate Similarity	NPC294511
0.7534	Intermediate Similarity	NPC268905
0.7534	Intermediate Similarity	NPC472672
0.7519	Intermediate Similarity	NPC272487
0.7519	Intermediate Similarity	NPC120836
0.7519	Intermediate Similarity	NPC223063
0.7518	Intermediate Similarity	NPC476946
0.75	Intermediate Similarity	NPC106247
0.75	Intermediate Similarity	NPC471007
0.7483	Intermediate Similarity	NPC346
0.7482	Intermediate Similarity	NPC202260
0.748	Intermediate Similarity	NPC293424
0.7465	Intermediate Similarity	NPC476944
0.7464	Intermediate Similarity	NPC310830
0.7463	Intermediate Similarity	NPC476925
0.746	Intermediate Similarity	NPC76844
0.746	Intermediate Similarity	NPC474987
0.745	Intermediate Similarity	NPC472778
0.745	Intermediate Similarity	NPC472776
0.745	Intermediate Similarity	NPC472777
0.745	Intermediate Similarity	NPC197137
0.7448	Intermediate Similarity	NPC472654
0.7447	Intermediate Similarity	NPC52412
0.7444	Intermediate Similarity	NPC327527
0.7444	Intermediate Similarity	NPC476917
0.7432	Intermediate Similarity	NPC92979
0.7432	Intermediate Similarity	NPC281258
0.7432	Intermediate Similarity	NPC214541
0.7432	Intermediate Similarity	NPC44675
0.7431	Intermediate Similarity	NPC250228
0.7431	Intermediate Similarity	NPC476937
0.7431	Intermediate Similarity	NPC476938
0.7431	Intermediate Similarity	NPC302987
0.7429	Intermediate Similarity	NPC67003
0.7415	Intermediate Similarity	NPC474378
0.7415	Intermediate Similarity	NPC44577
0.7415	Intermediate Similarity	NPC474219
0.7415	Intermediate Similarity	NPC147168
0.7413	Intermediate Similarity	NPC195920
0.7413	Intermediate Similarity	NPC5676
0.741	Intermediate Similarity	NPC476943
0.741	Intermediate Similarity	NPC220094
0.7407	Intermediate Similarity	NPC475092
0.74	Intermediate Similarity	NPC472671
0.74	Intermediate Similarity	NPC472779
0.7397	Intermediate Similarity	NPC196846
0.7397	Intermediate Similarity	NPC228842
0.7394	Intermediate Similarity	NPC22248
0.7394	Intermediate Similarity	NPC223415
0.7388	Intermediate Similarity	NPC198904
0.7385	Intermediate Similarity	NPC36255
0.7383	Intermediate Similarity	NPC469485
0.7381	Intermediate Similarity	NPC11821

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC474817 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	156
0.1-0.2	690
0.2-0.3	2148
0.3-0.4	2906
0.4-0.5	2034
0.5-0.6	1011
0.6-0.7	208
0.7-0.8	8
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
0.7234	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7132	Intermediate Similarity	NPD9092	Discovery
0.7122	Intermediate Similarity	NPD6355	Discontinued
0.7111	Intermediate Similarity	NPD5647	Approved
0.7083	Intermediate Similarity	NPD4628	Phase 3
0.7068	Intermediate Similarity	NPD9717	Approved
0.7016	Intermediate Similarity	NPD1358	Approved
0.7007	Intermediate Similarity	NPD6832	Phase 2
0.695	Remote Similarity	NPD6653	Approved
0.6935	Remote Similarity	NPD3134	Approved
0.6912	Remote Similarity	NPD1049	Clinical (unspecified phase)
0.6906	Remote Similarity	NPD6798	Discontinued
0.6863	Remote Similarity	NPD5760	Phase 2
0.6863	Remote Similarity	NPD5761	Phase 2
0.6857	Remote Similarity	NPD6233	Phase 2
0.6857	Remote Similarity	NPD4062	Phase 3
0.6812	Remote Similarity	NPD9494	Approved
0.6788	Remote Similarity	NPD6362	Approved
0.6788	Remote Similarity	NPD1203	Approved
0.6761	Remote Similarity	NPD447	Suspended
0.6739	Remote Similarity	NPD1019	Discontinued
0.6736	Remote Similarity	NPD2799	Discontinued
0.6711	Remote Similarity	NPD6799	Approved
0.6692	Remote Similarity	NPD1241	Discontinued
0.6692	Remote Similarity	NPD9545	Approved
0.669	Remote Similarity	NPD1551	Phase 2
0.6667	Remote Similarity	NPD2797	Approved
0.6667	Remote Similarity	NPD7421	Clinical (unspecified phase)
0.6645	Remote Similarity	NPD7096	Clinical (unspecified phase)
0.6643	Remote Similarity	NPD1933	Approved
0.6623	Remote Similarity	NPD6273	Approved
0.6615	Remote Similarity	NPD7843	Approved
0.6614	Remote Similarity	NPD290	Approved
0.6593	Remote Similarity	NPD1778	Approved
0.6589	Remote Similarity	NPD2181	Clinical (unspecified phase)
0.6579	Remote Similarity	NPD5403	Approved
0.6577	Remote Similarity	NPD2354	Approved
0.6577	Remote Similarity	NPD3887	Approved
0.6567	Remote Similarity	NPD1894	Discontinued
0.6562	Remote Similarity	NPD2684	Approved
0.6556	Remote Similarity	NPD5401	Approved
0.6552	Remote Similarity	NPD7097	Phase 1
0.6549	Remote Similarity	NPD411	Approved
0.6549	Remote Similarity	NPD2313	Discontinued
0.6549	Remote Similarity	NPD3268	Approved
0.6549	Remote Similarity	NPD6859	Clinical (unspecified phase)
0.6548	Remote Similarity	NPD8434	Phase 2
0.6545	Remote Similarity	NPD6764	Approved
0.6545	Remote Similarity	NPD6765	Approved
0.6544	Remote Similarity	NPD3496	Discontinued
0.6541	Remote Similarity	NPD9493	Approved
0.6533	Remote Similarity	NPD7440	Discontinued
0.6531	Remote Similarity	NPD6002	Phase 3
0.6531	Remote Similarity	NPD6006	Clinical (unspecified phase)
0.6531	Remote Similarity	NPD6005	Phase 3
0.6531	Remote Similarity	NPD6003	Clinical (unspecified phase)
0.6531	Remote Similarity	NPD6004	Phase 3
0.6528	Remote Similarity	NPD1899	Clinical (unspecified phase)
0.6519	Remote Similarity	NPD7075	Discontinued
0.6519	Remote Similarity	NPD5585	Approved
0.6515	Remote Similarity	NPD690	Clinical (unspecified phase)
0.651	Remote Similarity	NPD4109	Clinical (unspecified phase)
0.651	Remote Similarity	NPD4110	Phase 3
0.6507	Remote Similarity	NPD4308	Phase 3
0.6496	Remote Similarity	NPD1547	Clinical (unspecified phase)
0.649	Remote Similarity	NPD6143	Clinical (unspecified phase)
0.6486	Remote Similarity	NPD5958	Discontinued
0.6479	Remote Similarity	NPD7095	Approved
0.6466	Remote Similarity	NPD7157	Approved
0.6463	Remote Similarity	NPD2239	Approved
0.6463	Remote Similarity	NPD2240	Approved
0.6452	Remote Similarity	NPD6599	Discontinued
0.6449	Remote Similarity	NPD1608	Approved
0.6446	Remote Similarity	NPD6559	Discontinued
0.6419	Remote Similarity	NPD5763	Approved
0.6419	Remote Similarity	NPD5762	Approved
0.6419	Remote Similarity	NPD2344	Approved
0.6412	Remote Similarity	NPD969	Suspended
0.6405	Remote Similarity	NPD5049	Phase 3
0.6403	Remote Similarity	NPD4379	Clinical (unspecified phase)
0.6395	Remote Similarity	NPD7033	Discontinued
0.6391	Remote Similarity	NPD6784	Approved
0.6391	Remote Similarity	NPD6785	Approved
0.6387	Remote Similarity	NPD5808	Clinical (unspecified phase)
0.6387	Remote Similarity	NPD7458	Discontinued
0.6385	Remote Similarity	NPD2067	Discontinued
0.6383	Remote Similarity	NPD2798	Approved
0.6376	Remote Similarity	NPD4534	Discontinued
0.6369	Remote Similarity	NPD6801	Discontinued
0.6364	Remote Similarity	NPD920	Approved
0.6357	Remote Similarity	NPD3225	Approved
0.6351	Remote Similarity	NPD2935	Discontinued
0.6345	Remote Similarity	NPD4060	Phase 1
0.6345	Remote Similarity	NPD4307	Phase 2
0.634	Remote Similarity	NPD4661	Approved
0.634	Remote Similarity	NPD4662	Approved
0.6331	Remote Similarity	NPD1481	Phase 2
0.6329	Remote Similarity	NPD1006	Clinical (unspecified phase)
0.6328	Remote Similarity	NPD9697	Approved
0.6316	Remote Similarity	NPD643	Clinical (unspecified phase)
0.6312	Remote Similarity	NPD3267	Approved
0.6312	Remote Similarity	NPD3266	Approved
0.6309	Remote Similarity	NPD2346	Discontinued
0.6309	Remote Similarity	NPD2355	Clinical (unspecified phase)
0.6309	Remote Similarity	NPD2353	Approved
0.6308	Remote Similarity	NPD2182	Approved
0.6304	Remote Similarity	NPD3847	Discontinued
0.6294	Remote Similarity	NPD2614	Approved
0.6289	Remote Similarity	NPD5402	Approved
0.6286	Remote Similarity	NPD4359	Approved
0.6273	Remote Similarity	NPD919	Approved
0.6273	Remote Similarity	NPD5537	Clinical (unspecified phase)
0.6268	Remote Similarity	NPD6007	Clinical (unspecified phase)
0.6267	Remote Similarity	NPD2424	Discontinued
0.6259	Remote Similarity	NPD1535	Discovery
0.625	Remote Similarity	NPD5952	Clinical (unspecified phase)
0.625	Remote Similarity	NPD5536	Phase 2
0.625	Remote Similarity	NPD2309	Approved
0.625	Remote Similarity	NPD4868	Clinical (unspecified phase)
0.625	Remote Similarity	NPD3882	Suspended
0.6242	Remote Similarity	NPD1501	Clinical (unspecified phase)
0.6242	Remote Similarity	NPD5712	Approved
0.6242	Remote Similarity	NPD6032	Approved
0.6241	Remote Similarity	NPD1876	Approved
0.6241	Remote Similarity	NPD5535	Approved
0.6234	Remote Similarity	NPD642	Clinical (unspecified phase)
0.6233	Remote Similarity	NPD3140	Approved
0.6233	Remote Similarity	NPD3142	Approved
0.6232	Remote Similarity	NPD17	Approved
0.6226	Remote Similarity	NPD7819	Suspended
0.6224	Remote Similarity	NPD454	Approved
0.622	Remote Similarity	NPD291	Approved
0.6214	Remote Similarity	NPD3972	Approved
0.6207	Remote Similarity	NPD3764	Approved
0.6207	Remote Similarity	NPD1048	Approved
0.6203	Remote Similarity	NPD958	Approved
0.6203	Remote Similarity	NPD6677	Suspended
0.6203	Remote Similarity	NPD7411	Suspended
0.6197	Remote Similarity	NPD987	Approved
0.6196	Remote Similarity	NPD8127	Discontinued
0.619	Remote Similarity	NPD1238	Approved
0.619	Remote Similarity	NPD230	Phase 1
0.619	Remote Similarity	NPD4340	Discontinued
0.6188	Remote Similarity	NPD3817	Phase 2
0.6184	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.6184	Remote Similarity	NPD3750	Approved
0.6184	Remote Similarity	NPD7003	Approved
0.6184	Remote Similarity	NPD1878	Clinical (unspecified phase)
0.6182	Remote Similarity	NPD4575	Clinical (unspecified phase)
0.6178	Remote Similarity	NPD2651	Approved
0.6178	Remote Similarity	NPD2649	Approved
0.6172	Remote Similarity	NPD6647	Phase 2
0.6159	Remote Similarity	NPD1549	Phase 2
0.6149	Remote Similarity	NPD7768	Phase 2
0.6148	Remote Similarity	NPD9365	Approved
0.6143	Remote Similarity	NPD1091	Approved
0.6133	Remote Similarity	NPD4477	Approved
0.6133	Remote Similarity	NPD4476	Approved
0.6133	Remote Similarity	NPD2796	Approved
0.6133	Remote Similarity	NPD2438	Suspended
0.6129	Remote Similarity	NPD7004	Clinical (unspecified phase)
0.6127	Remote Similarity	NPD1283	Approved
0.6122	Remote Similarity	NPD4140	Approved
0.6118	Remote Similarity	NPD1243	Approved
0.6118	Remote Similarity	NPD2976	Clinical (unspecified phase)
0.6118	Remote Similarity	NPD1652	Phase 2
0.6111	Remote Similarity	NPD4381	Clinical (unspecified phase)
0.6108	Remote Similarity	NPD2163	Approved
0.6093	Remote Similarity	NPD6800	Clinical (unspecified phase)
0.6093	Remote Similarity	NPD1550	Clinical (unspecified phase)
0.6093	Remote Similarity	NPD1552	Clinical (unspecified phase)
0.6093	Remote Similarity	NPD1471	Phase 3
0.609	Remote Similarity	NPD2186	Approved
0.6087	Remote Similarity	NPD5616	Clinical (unspecified phase)
0.6081	Remote Similarity	NPD4622	Approved
0.6081	Remote Similarity	NPD4618	Approved
0.6076	Remote Similarity	NPD3455	Phase 2
0.6067	Remote Similarity	NPD3748	Approved
0.6062	Remote Similarity	NPD1934	Approved
0.6062	Remote Similarity	NPD6844	Discontinued
0.6061	Remote Similarity	NPD6808	Phase 2
0.6059	Remote Similarity	NPD7685	Pre-registration
0.6058	Remote Similarity	NPD694	Clinical (unspecified phase)
0.6056	Remote Similarity	NPD3685	Discontinued
0.6054	Remote Similarity	NPD8032	Phase 2
0.6054	Remote Similarity	NPD4870	Approved
0.6053	Remote Similarity	NPD2897	Discontinued
0.6053	Remote Similarity	NPD7596	Clinical (unspecified phase)
0.6053	Remote Similarity	NPD970	Clinical (unspecified phase)
0.6051	Remote Similarity	NPD1670	Discontinued
0.6051	Remote Similarity	NPD6980	Clinical (unspecified phase)
0.6043	Remote Similarity	NPD5691	Approved
0.6043	Remote Similarity	NPD1357	Approved
0.6038	Remote Similarity	NPD4380	Phase 2
0.6031	Remote Similarity	NPD968	Approved
0.6029	Remote Similarity	NPD2629	Approved
0.6028	Remote Similarity	NPD422	Phase 1
0.6027	Remote Similarity	NPD5163	Phase 2
0.6027	Remote Similarity	NPD2598	Clinical (unspecified phase)
0.6025	Remote Similarity	NPD2393	Clinical (unspecified phase)

Structure

NPC474817 OpenBabel07101719512D 29 30 0 0 1 0 0 0 0 0999 V2000 4.2541 -1.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3857 -5.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2091 -2.9890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5388 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8541 -4.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4271 -2.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -3.3065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9586 -3.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6631 -5.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2361 -3.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6812 -3.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5135 -3.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4038 -3.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5252 -2.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5197 -2.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 -1.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1833 -3.9876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1496 -2.9444 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5767 -4.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7045 -2.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5388 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3173 -3.4876 0.0000 C 0 0 0 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 -0.9511 -1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9511 0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2601 -2.2601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2601 1.2601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9265 -3.3184 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 1 18 1 0 0 0 0 2 19 1 0 0 0 0 3 20 1 0 0 0 0 4 21 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 1 0 0 0 0 10 18 1 0 0 0 0 11 19 2 0 0 0 0 12 20 2 0 0 0 0 13 22 1 0 0 0 0 14 15 2 0 0 0 0 14 22 1 0 0 0 0 15 28 1 0 0 0 0 16 20 1 0 0 0 0 17 22 2 0 0 0 0 17 28 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 23 16 1 6 0 0 0 23 24 1 0 0 0 0 23 29 1 0 0 0 0 24 26 1 0 0 0 0 25 27 2 0 0 0 0 25 29 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	54726396
ChEMBL	CHEMBL483840
ZINC

Physicochemical Properties

Molecular Weight:	398.25
ALogP:	3.6979
MLogP:	3.77
XLogP:	6.708
# Rotatable Bonds:	16
Polar Surface Area:	59.67
# H-Bond Aceptor:	3
# H-Bond Donor:	1
# Rings:	2
# Heavy Atoms:	29

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