NPASS Natural Product

Natural Product: NPC471006

Natural Product ID:	NPC471006
Common Name:	n.a.
IUPAC Name:
Synonyms:
Molecular Formula:	C26H30O3
Standard InCHIKey:	ZDBMCXFUQGNBLR-GJLVFVFDSA-N
Standard InCHI:	InChI=1S/C26H30O3/c1-23-10-8-21(27)26(4)20-7-11-24(2)17(16-9-12-28-14-16)5-6-19(24)25(20,3)13-18(22(23)26)29-15-23/h6,8-10,12-14,17,20,22H,5,7,11,15H2,1-4H3/t17-,20-,22-,23-,24-,25-,26-/m0/s1
Canonical SMILES:	O=C1C=C[C@@]2([C@H]3[C@@]1(C)[C@H]1CC[C@@]4(C(=CC[C@H]4c4cocc4)[C@@]1(C=C3OC2)C)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
NPO5587	Chisocheton ceramicus	Species	Meliaceae	Eukaryota				PMID[23395661]

Biological Activity

Activity Type	# Activity
IC50	1
Others	2

Activity Type	# Activity
Others	3

Target ID	Target Type	Target Name	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified	IC50	=	29500	nM	16033284
NPT2	Others	Unspecified	Ratio CC50/IC50	>	1.7		9873389
NPT2	Others	Unspecified	CC50	>	50000	nM	17988094

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 NPC471006 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	252
0.1-0.2	1215
0.2-0.3	1983
0.3-0.4	4997
0.4-0.5	9185
0.5-0.6	8493
0.6-0.7	4121
0.7-0.8	512
0.8-0.85	95
0.85-0.9	36
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.8931	High Similarity	NPC298190
0.8921	High Similarity	NPC470999
0.8897	High Similarity	NPC56197
0.88	High Similarity	NPC243704
0.8777	High Similarity	NPC199044
0.8777	High Similarity	NPC238843
0.8741	High Similarity	NPC146872
0.8732	High Similarity	NPC471001
0.8714	High Similarity	NPC185456
0.8692	High Similarity	NPC74612
0.8692	High Similarity	NPC23086
0.8671	High Similarity	NPC196846
0.8667	High Similarity	NPC92941
0.8652	High Similarity	NPC471292
0.8626	High Similarity	NPC83178
0.8615	High Similarity	NPC179354
0.8613	High Similarity	NPC236532
0.8613	High Similarity	NPC220094
0.8611	High Similarity	NPC471000
0.8605	High Similarity	NPC16922
0.8592	High Similarity	NPC302987
0.8561	High Similarity	NPC477039
0.8561	High Similarity	NPC477123
0.8561	High Similarity	NPC112706
0.8561	High Similarity	NPC477966
0.8561	High Similarity	NPC207294
0.8561	High Similarity	NPC327527
0.8561	High Similarity	NPC476917
0.856	High Similarity	NPC150895
0.8552	High Similarity	NPC471002
0.854	High Similarity	NPC310830
0.854	High Similarity	NPC470742
0.8529	High Similarity	NPC158525
0.8519	High Similarity	NPC470740
0.8507	High Similarity	NPC61788
0.85	High Similarity	NPC473152
0.8496	Intermediate Similarity	NPC59502
0.8478	Intermediate Similarity	NPC476943
0.8472	Intermediate Similarity	NPC470998
0.8472	Intermediate Similarity	NPC234494
0.8462	Intermediate Similarity	NPC471174
0.844	Intermediate Similarity	NPC470741
0.8435	Intermediate Similarity	NPC155939
0.8435	Intermediate Similarity	NPC141538
0.8435	Intermediate Similarity	NPC296807
0.8433	Intermediate Similarity	NPC476925
0.8429	Intermediate Similarity	NPC205765
0.8425	Intermediate Similarity	NPC470996
0.8425	Intermediate Similarity	NPC212918
0.8421	Intermediate Similarity	NPC477040
0.8417	Intermediate Similarity	NPC90953
0.8414	Intermediate Similarity	NPC470997
0.8414	Intermediate Similarity	NPC5180
0.8409	Intermediate Similarity	NPC138139
0.8409	Intermediate Similarity	NPC46536
0.8406	Intermediate Similarity	NPC42400
0.8385	Intermediate Similarity	NPC477967
0.8385	Intermediate Similarity	NPC317217
0.8382	Intermediate Similarity	NPC218838
0.8359	Intermediate Similarity	NPC87466
0.8356	Intermediate Similarity	NPC116717
0.8356	Intermediate Similarity	NPC291150
0.8356	Intermediate Similarity	NPC272590
0.8346	Intermediate Similarity	NPC246392
0.8346	Intermediate Similarity	NPC290955
0.8333	Intermediate Similarity	NPC46896
0.8333	Intermediate Similarity	NPC473885
0.8333	Intermediate Similarity	NPC216755
0.8333	Intermediate Similarity	NPC471074
0.8333	Intermediate Similarity	NPC10088
0.8322	Intermediate Similarity	NPC56731
0.831	Intermediate Similarity	NPC223415
0.831	Intermediate Similarity	NPC267632
0.8309	Intermediate Similarity	NPC471817
0.8309	Intermediate Similarity	NPC471995
0.8308	Intermediate Similarity	NPC97566
0.8299	Intermediate Similarity	NPC246164
0.8299	Intermediate Similarity	NPC33938
0.8284	Intermediate Similarity	NPC279877
0.8284	Intermediate Similarity	NPC26532
0.8276	Intermediate Similarity	NPC471007
0.8273	Intermediate Similarity	NPC307401
0.8268	Intermediate Similarity	NPC28054
0.8264	Intermediate Similarity	NPC346
0.8264	Intermediate Similarity	NPC276676
0.8258	Intermediate Similarity	NPC188377
0.8258	Intermediate Similarity	NPC477038
0.8258	Intermediate Similarity	NPC477965
0.8258	Intermediate Similarity	NPC65735
0.8252	Intermediate Similarity	NPC142113
0.8244	Intermediate Similarity	NPC36255
0.8243	Intermediate Similarity	NPC471863
0.8222	Intermediate Similarity	NPC208389
0.8209	Intermediate Similarity	NPC319140
0.8209	Intermediate Similarity	NPC95567
0.8207	Intermediate Similarity	NPC250228
0.82	Intermediate Similarity	NPC469847
0.8194	Intermediate Similarity	NPC34056
0.8188	Intermediate Similarity	NPC92979
0.8188	Intermediate Similarity	NPC25351
0.8182	Intermediate Similarity	NPC272899
0.8169	Intermediate Similarity	NPC20500
0.8163	Intermediate Similarity	NPC156189
0.8162	Intermediate Similarity	NPC21460
0.8158	Intermediate Similarity	NPC471003
0.8156	Intermediate Similarity	NPC202260
0.8151	Intermediate Similarity	NPC93666
0.8129	Intermediate Similarity	NPC476947
0.8125	Intermediate Similarity	NPC251865
0.812	Intermediate Similarity	NPC83115
0.812	Intermediate Similarity	NPC130275
0.8112	Intermediate Similarity	NPC263337
0.8102	Intermediate Similarity	NPC89133
0.8099	Intermediate Similarity	NPC148374
0.8099	Intermediate Similarity	NPC90296
0.8095	Intermediate Similarity	NPC472654
0.8079	Intermediate Similarity	NPC197137
0.8079	Intermediate Similarity	NPC470118
0.806	Intermediate Similarity	NPC303010
0.806	Intermediate Similarity	NPC230979
0.8056	Intermediate Similarity	NPC80635
0.8056	Intermediate Similarity	NPC243577
0.8027	Intermediate Similarity	NPC476941
0.8027	Intermediate Similarity	NPC476942
0.8026	Intermediate Similarity	NPC474932
0.8015	Intermediate Similarity	NPC329707
0.8014	Intermediate Similarity	NPC262198
0.8	Intermediate Similarity	NPC237259
0.8	Intermediate Similarity	NPC476944
0.8	Intermediate Similarity	NPC34421
0.8	Intermediate Similarity	NPC98206
0.7986	Intermediate Similarity	NPC52412
0.7986	Intermediate Similarity	NPC293253
0.7985	Intermediate Similarity	NPC178382
0.7973	Intermediate Similarity	NPC195325
0.7973	Intermediate Similarity	NPC470791
0.7973	Intermediate Similarity	NPC470790
0.7972	Intermediate Similarity	NPC67003
0.7959	Intermediate Similarity	NPC476938
0.7959	Intermediate Similarity	NPC476937
0.7959	Intermediate Similarity	NPC224418
0.7959	Intermediate Similarity	NPC221809
0.7958	Intermediate Similarity	NPC471996
0.7956	Intermediate Similarity	NPC198904
0.7933	Intermediate Similarity	NPC308205
0.7933	Intermediate Similarity	NPC29695
0.7933	Intermediate Similarity	NPC322546
0.7933	Intermediate Similarity	NPC182427
0.7923	Intermediate Similarity	NPC45536
0.7922	Intermediate Similarity	NPC470792
0.7919	Intermediate Similarity	NPC476936
0.7919	Intermediate Similarity	NPC469335
0.7919	Intermediate Similarity	NPC46551
0.7919	Intermediate Similarity	NPC159927
0.7914	Intermediate Similarity	NPC473982
0.7902	Intermediate Similarity	NPC474722
0.7891	Intermediate Similarity	NPC233763
0.7881	Intermediate Similarity	NPC57998
0.7879	Intermediate Similarity	NPC473969
0.7871	Intermediate Similarity	NPC224394
0.7871	Intermediate Similarity	NPC165218
0.7871	Intermediate Similarity	NPC663
0.7862	Intermediate Similarity	NPC121158
0.7852	Intermediate Similarity	NPC329180
0.7852	Intermediate Similarity	NPC118853
0.7852	Intermediate Similarity	NPC243269
0.7846	Intermediate Similarity	NPC205523
0.7838	Intermediate Similarity	NPC71821
0.7838	Intermediate Similarity	NPC470941
0.7834	Intermediate Similarity	NPC478179
0.7832	Intermediate Similarity	NPC472376
0.7829	Intermediate Similarity	NPC44675
0.7829	Intermediate Similarity	NPC214541
0.7826	Intermediate Similarity	NPC120836
0.7826	Intermediate Similarity	NPC223063
0.7823	Intermediate Similarity	NPC247221
0.7817	Intermediate Similarity	NPC214572
0.7815	Intermediate Similarity	NPC472672
0.7815	Intermediate Similarity	NPC75906
0.7808	Intermediate Similarity	NPC476946
0.7806	Intermediate Similarity	NPC197596
0.78	Intermediate Similarity	NPC477404
0.78	Intermediate Similarity	NPC196864
0.7792	Intermediate Similarity	NPC475226
0.7792	Intermediate Similarity	NPC84349
0.7778	Intermediate Similarity	NPC104736
0.7771	Intermediate Similarity	NPC478178
0.7763	Intermediate Similarity	NPC30222
0.7763	Intermediate Similarity	NPC253201
0.7763	Intermediate Similarity	NPC178932
0.7763	Intermediate Similarity	NPC302054
0.7762	Intermediate Similarity	NPC170604
0.7762	Intermediate Similarity	NPC310043
0.7762	Intermediate Similarity	NPC215109
0.7762	Intermediate Similarity	NPC4764
0.7755	Intermediate Similarity	NPC84479
0.7748	Intermediate Similarity	NPC18135
0.7727	Intermediate Similarity	NPC208906
0.7727	Intermediate Similarity	NPC217180
0.7727	Intermediate Similarity	NPC312525

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC471006 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	277
0.1-0.2	1013
0.2-0.3	1577
0.3-0.4	2788
0.4-0.5	2212
0.5-0.6	1074
0.6-0.7	205
0.7-0.8	15
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
0.7829	Intermediate Similarity	NPD5761	Phase 2
0.7829	Intermediate Similarity	NPD5760	Phase 2
0.7426	Intermediate Similarity	NPD3412	Clinical (unspecified phase)
0.7415	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7286	Intermediate Similarity	NPD1876	Approved
0.7266	Intermediate Similarity	NPD3972	Approved
0.7188	Intermediate Similarity	NPD5537	Clinical (unspecified phase)
0.7181	Intermediate Similarity	NPD1471	Phase 3
0.7164	Intermediate Similarity	NPD1241	Discontinued
0.7143	Intermediate Similarity	NPD6273	Approved
0.7126	Intermediate Similarity	NPD6765	Approved
0.7126	Intermediate Similarity	NPD6764	Approved
0.7122	Intermediate Similarity	NPD7457	Clinical (unspecified phase)
0.7107	Intermediate Similarity	NPD5616	Clinical (unspecified phase)
0.7055	Intermediate Similarity	NPD8032	Phase 2
0.6959	Remote Similarity	NPD6784	Approved
0.6959	Remote Similarity	NPD6785	Approved
0.6954	Remote Similarity	NPD2344	Approved
0.695	Remote Similarity	NPD1547	Clinical (unspecified phase)
0.6889	Remote Similarity	NPD1609	Clinical (unspecified phase)
0.6828	Remote Similarity	NPD2798	Approved
0.6821	Remote Similarity	NPD2799	Discontinued
0.6821	Remote Similarity	NPD8434	Phase 2
0.6818	Remote Similarity	NPD4628	Phase 3
0.6776	Remote Similarity	NPD2796	Approved
0.6774	Remote Similarity	NPD2309	Approved
0.6772	Remote Similarity	NPD920	Approved
0.6759	Remote Similarity	NPD1049	Clinical (unspecified phase)
0.6752	Remote Similarity	NPD642	Clinical (unspecified phase)
0.675	Remote Similarity	NPD7028	Phase 2
0.6736	Remote Similarity	NPD5327	Phase 3
0.6732	Remote Similarity	NPD2346	Discontinued
0.6731	Remote Similarity	NPD643	Clinical (unspecified phase)
0.671	Remote Similarity	NPD7003	Approved
0.6691	Remote Similarity	NPD2181	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD3140	Approved
0.6667	Remote Similarity	NPD3142	Approved
0.6667	Remote Similarity	NPD6280	Approved
0.6667	Remote Similarity	NPD6279	Approved
0.6645	Remote Similarity	NPD7421	Clinical (unspecified phase)
0.6644	Remote Similarity	NPD3267	Approved
0.6644	Remote Similarity	NPD2313	Discontinued
0.6644	Remote Similarity	NPD3266	Approved
0.6622	Remote Similarity	NPD6832	Phase 2
0.662	Remote Similarity	NPD1651	Approved
0.662	Remote Similarity	NPD5585	Approved
0.6601	Remote Similarity	NPD3748	Approved
0.6584	Remote Similarity	NPD7458	Discontinued
0.6573	Remote Similarity	NPD17	Approved
0.6562	Remote Similarity	NPD3873	Phase 3
0.6562	Remote Similarity	NPD3869	Phase 3
0.6556	Remote Similarity	NPD4140	Approved
0.6556	Remote Similarity	NPD4307	Phase 2
0.6538	Remote Similarity	NPD1243	Approved
0.6533	Remote Similarity	NPD3268	Approved
0.6531	Remote Similarity	NPD2797	Approved
0.6527	Remote Similarity	NPD5494	Approved
0.6497	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.6483	Remote Similarity	NPD1281	Approved
0.6481	Remote Similarity	NPD3226	Approved
0.6481	Remote Similarity	NPD5808	Clinical (unspecified phase)
0.6471	Remote Similarity	NPD6353	Approved
0.6467	Remote Similarity	NPD5952	Clinical (unspecified phase)
0.6458	Remote Similarity	NPD2932	Approved
0.6452	Remote Similarity	NPD6100	Approved
0.6452	Remote Similarity	NPD6099	Approved
0.6447	Remote Similarity	NPD2979	Phase 3
0.6446	Remote Similarity	NPD4947	Clinical (unspecified phase)
0.6442	Remote Similarity	NPD6599	Discontinued
0.6438	Remote Similarity	NPD1608	Approved
0.6433	Remote Similarity	NPD2800	Approved
0.6424	Remote Similarity	NPD7819	Suspended
0.6415	Remote Similarity	NPD7236	Approved
0.6405	Remote Similarity	NPD4618	Approved
0.6405	Remote Similarity	NPD5735	Approved
0.6405	Remote Similarity	NPD4622	Approved
0.6395	Remote Similarity	NPD4359	Approved
0.6395	Remote Similarity	NPD7893	Clinical (unspecified phase)
0.6392	Remote Similarity	NPD3750	Approved
0.6391	Remote Similarity	NPD8127	Discontinued
0.6391	Remote Similarity	NPD1247	Approved
0.6389	Remote Similarity	NPD3025	Approved
0.6389	Remote Similarity	NPD3024	Approved
0.6389	Remote Similarity	NPD5691	Approved
0.6387	Remote Similarity	NPD4308	Phase 3
0.6386	Remote Similarity	NPD5977	Approved
0.6386	Remote Similarity	NPD5978	Approved
0.6369	Remote Similarity	NPD919	Approved
0.6358	Remote Similarity	NPD3050	Clinical (unspecified phase)
0.6353	Remote Similarity	NPD6808	Phase 2
0.6353	Remote Similarity	NPD5668	Clinical (unspecified phase)
0.6352	Remote Similarity	NPD3887	Approved
0.6351	Remote Similarity	NPD1283	Approved
0.6345	Remote Similarity	NPD1778	Approved
0.6345	Remote Similarity	NPD3019	Approved
0.6335	Remote Similarity	NPD4378	Clinical (unspecified phase)
0.6335	Remote Similarity	NPD7004	Clinical (unspecified phase)
0.6333	Remote Similarity	NPD9494	Approved
0.6323	Remote Similarity	NPD5688	Approved
0.6323	Remote Similarity	NPD5689	Approved
0.6316	Remote Similarity	NPD3764	Approved
0.631	Remote Similarity	NPD3749	Approved
0.6306	Remote Similarity	NPD6003	Clinical (unspecified phase)
0.6306	Remote Similarity	NPD6004	Phase 3
0.6306	Remote Similarity	NPD6006	Clinical (unspecified phase)
0.6306	Remote Similarity	NPD6005	Phase 3
0.6306	Remote Similarity	NPD6002	Phase 3
0.6304	Remote Similarity	NPD2182	Approved
0.6301	Remote Similarity	NPD3023	Approved
0.6301	Remote Similarity	NPD3026	Approved
0.6299	Remote Similarity	NPD6355	Discontinued
0.6299	Remote Similarity	NPD1899	Clinical (unspecified phase)
0.6289	Remote Similarity	NPD4110	Phase 3
0.6289	Remote Similarity	NPD8166	Discontinued
0.6289	Remote Similarity	NPD4109	Clinical (unspecified phase)
0.6287	Remote Similarity	NPD8443	Clinical (unspecified phase)
0.6287	Remote Similarity	NPD2296	Approved
0.628	Remote Similarity	NPD2651	Approved
0.628	Remote Similarity	NPD2649	Approved
0.6277	Remote Similarity	NPD3134	Approved
0.6275	Remote Similarity	NPD6663	Approved
0.6267	Remote Similarity	NPD4624	Approved
0.6267	Remote Similarity	NPD1019	Discontinued
0.6267	Remote Similarity	NPD5647	Approved
0.6266	Remote Similarity	NPD1549	Phase 2
0.6265	Remote Similarity	NPD7577	Discontinued
0.625	Remote Similarity	NPD6559	Discontinued
0.6242	Remote Similarity	NPD2438	Suspended
0.6242	Remote Similarity	NPD4476	Approved
0.6242	Remote Similarity	NPD4477	Approved
0.6242	Remote Similarity	NPD1551	Phase 2
0.6242	Remote Similarity	NPD2531	Phase 2
0.6237	Remote Similarity	NPD4107	Approved
0.6228	Remote Similarity	NPD7096	Clinical (unspecified phase)
0.6224	Remote Similarity	NPD7157	Approved
0.6222	Remote Similarity	NPD6040	Clinical (unspecified phase)
0.6221	Remote Similarity	NPD3926	Phase 2
0.622	Remote Similarity	NPD7239	Suspended
0.6216	Remote Similarity	NPD9717	Approved
0.6205	Remote Similarity	NPD7411	Suspended
0.6203	Remote Similarity	NPD1550	Clinical (unspecified phase)
0.6203	Remote Similarity	NPD2355	Clinical (unspecified phase)
0.6203	Remote Similarity	NPD2353	Approved
0.6203	Remote Similarity	NPD1552	Clinical (unspecified phase)
0.6194	Remote Similarity	NPD1933	Approved
0.6185	Remote Similarity	NPD4575	Clinical (unspecified phase)
0.6184	Remote Similarity	NPD7055	Discontinued
0.6178	Remote Similarity	NPD1510	Phase 2
0.6173	Remote Similarity	NPD6799	Approved
0.617	Remote Similarity	NPD3057	Approved
0.6169	Remote Similarity	NPD4870	Approved
0.6164	Remote Similarity	NPD2897	Discontinued
0.6164	Remote Similarity	NPD2424	Discontinued
0.6159	Remote Similarity	NPD5586	Clinical (unspecified phase)
0.6159	Remote Similarity	NPD6980	Clinical (unspecified phase)
0.6154	Remote Similarity	NPD1607	Approved
0.6154	Remote Similarity	NPD3882	Suspended
0.6149	Remote Similarity	NPD6287	Discontinued
0.6149	Remote Similarity	NPD3295	Clinical (unspecified phase)
0.6144	Remote Similarity	NPD7008	Discontinued
0.6139	Remote Similarity	NPD2935	Discontinued
0.6135	Remote Similarity	NPD4662	Approved
0.6135	Remote Similarity	NPD2533	Approved
0.6135	Remote Similarity	NPD4661	Approved
0.6135	Remote Similarity	NPD2532	Approved
0.6135	Remote Similarity	NPD2534	Approved
0.6135	Remote Similarity	NPD7410	Clinical (unspecified phase)
0.6133	Remote Similarity	NPD8651	Approved
0.6131	Remote Similarity	NPD2393	Clinical (unspecified phase)
0.6129	Remote Similarity	NPD1240	Approved
0.6127	Remote Similarity	NPD6858	Approved
0.6127	Remote Similarity	NPD5535	Approved
0.6127	Remote Similarity	NPD7094	Approved
0.6122	Remote Similarity	NPD4626	Approved
0.6118	Remote Similarity	NPD7075	Discontinued
0.6118	Remote Similarity	NPD5736	Approved
0.6117	Remote Similarity	NPD4482	Phase 3
0.6111	Remote Similarity	NPD8055	Clinical (unspecified phase)
0.6108	Remote Similarity	NPD5889	Approved
0.6108	Remote Similarity	NPD5890	Approved
0.6104	Remote Similarity	NPD6798	Discontinued
0.6104	Remote Similarity	NPD6410	Clinical (unspecified phase)
0.6101	Remote Similarity	NPD5762	Approved
0.6101	Remote Similarity	NPD5763	Approved
0.6096	Remote Similarity	NPD1894	Discontinued
0.6096	Remote Similarity	NPD7009	Phase 2
0.6096	Remote Similarity	NPD9545	Approved
0.6093	Remote Similarity	NPD1203	Approved
0.6085	Remote Similarity	NPD3533	Approved
0.6085	Remote Similarity	NPD2491	Approved
0.6085	Remote Similarity	NPD2972	Approved
0.6081	Remote Similarity	NPD3496	Discontinued
0.6074	Remote Similarity	NPD6143	Clinical (unspecified phase)
0.6071	Remote Similarity	NPD6801	Discontinued
0.6071	Remote Similarity	NPD2684	Approved
0.6071	Remote Similarity	NPD6844	Discontinued
0.6071	Remote Similarity	NPD7248	Discontinued
0.6062	Remote Similarity	NPD4534	Discontinued
0.6059	Remote Similarity	NPD7768	Phase 2
0.6054	Remote Similarity	NPD4196	Clinical (unspecified phase)

Structure

NPC471006 OpenBabel07101718192D 29 34 0 0 1 0 0 0 0 0999 V2000 2.5812 -0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6319 0.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0724 0.4939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8743 -0.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3177 2.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5090 2.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3399 0.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1199 -1.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0333 0.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8828 -0.6747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0441 0.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0278 0.8473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.8271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3697 2.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3159 1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6265 1.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6484 1.8642 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7927 1.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3399 1.7267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6357 0.5070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1786 -0.9839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7628 0.6466 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7042 0.3093 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0441 1.3201 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6357 1.3201 0.0000 C 0 0 2 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 -0.5843 -1.6305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2357 1.8254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7526 1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5 6 1 0 0 0 0 5 17 1 0 0 0 0 6 19 2 0 0 0 0 7 11 1 0 0 0 0 7 20 1 0 0 0 0 8 10 2 0 0 0 0 8 21 1 0 0 0 0 9 12 2 0 0 0 0 9 16 1 0 0 0 0 10 23 1 0 0 0 0 11 24 1 0 0 0 0 12 28 1 0 0 0 0 13 18 2 0 0 0 0 13 25 1 0 0 0 0 14 16 2 0 0 0 0 14 28 1 0 0 0 0 15 23 1 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 17 24 1 6 0 0 0 18 22 1 0 0 0 0 18 29 1 0 0 0 0 19 24 1 0 0 0 0 19 25 1 0 0 0 0 20 25 1 1 0 0 0 20 26 1 0 0 0 0 21 26 1 0 0 0 0 21 27 2 0 0 0 0 22 23 1 1 0 0 0 22 26 1 0 0 0 0 23 1 1 1 0 0 0 24 2 1 6 0 0 0 25 3 1 1 0 0 0 26 4 1 1 0 0 0 M END $$$$

External Identifiers

PubChem CID	71567411
ChEMBL	CHEMBL2335038
ZINC

Physicochemical Properties

Molecular Weight:	390.22
ALogP:	1.2998
MLogP:	3.99
XLogP:	4.597
# Rotatable Bonds:	5
Polar Surface Area:	39.44
# H-Bond Aceptor:	2
# H-Bond Donor:	0
# Rings:	6
# Heavy Atoms:	29

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