NPASS Natural Product

Natural Product: NPC302987

Natural Product ID:	NPC302987
Common Name:	Ceramicine F
IUPAC Name:	(4R,5S,6R,7S,8R,9S,10R,13S,17R)-17-(furan-3-yl)-6,7-dihydroxy-4,8,10,13-tetramethyl-1-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthrene-4-carbaldehyde
Synonyms:	Ceramicine F
Molecular Formula:	C26H32O5
Standard InCHIKey:	FMPMGORTBBATND-RTBHCFDSSA-N
Standard InCHI:	InChI=1S/C26H32O5/c1-23(14-27)10-8-19(28)26(4)18-7-11-24(2)16(15-9-12-31-13-15)5-6-17(24)25(18,3)22(30)20(29)21(23)26/h6,8-10,12-14,16,18,20-22,29-30H,5,7,11H2,1-4H3/t16-,18-,20+,21-,22+,23-,24-,25-,26-/m0/s1
Canonical SMILES:	O=C[C@]1(C)C=CC(=O)[C@]2([C@H]1[C@@H](O)[C@@H](O)[C@@]1([C@@H]2CC[C@@]2(C1=CC[C@H]2c1ccoc1)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	CC50	=	25000	nM	10.1016/j.cropro.2006.02.001
NPT2	Others	Unspecified	Ratio CC50/IC50	=	1.1		DrugMatrix in vivo data: Pathology
NPT2	Others	Unspecified	IC50	=	22400	nM	Open TG-GATES in vivo data: Organ Weight

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 NPC302987 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	222
0.1-0.2	1018
0.2-0.3	1943
0.3-0.4	3740
0.4-0.5	7284
0.5-0.6	8129
0.6-0.7	7466
0.7-0.8	795
0.8-0.85	224
0.85-0.9	47
0.9-0.95	14
0.95-1	7

Similarity Score	Similarity Level	Natural Product ID
0.9714	High Similarity	NPC185456
0.958	High Similarity	NPC234494
0.958	High Similarity	NPC470998
0.9521	High Similarity	NPC92979
0.9517	High Similarity	NPC470996
0.9514	High Similarity	NPC196846
0.9514	High Similarity	NPC470997
0.9384	High Similarity	NPC33938
0.9257	High Similarity	NPC296807
0.9257	High Similarity	NPC155939
0.9257	High Similarity	NPC141538
0.9231	High Similarity	NPC199044
0.9231	High Similarity	NPC238843
0.9184	High Similarity	NPC272590
0.9172	High Similarity	NPC471174
0.9103	High Similarity	NPC470999
0.9103	High Similarity	NPC471292
0.9085	High Similarity	NPC56197
0.9041	High Similarity	NPC216755
0.9007	High Similarity	NPC197137
0.9	High Similarity	NPC476947
0.8993	High Similarity	NPC218838
0.898	High Similarity	NPC471007
0.8919	High Similarity	NPC471001
0.8867	High Similarity	NPC246164
0.8828	High Similarity	NPC52412
0.88	High Similarity	NPC471000
0.8792	High Similarity	NPC472654
0.8776	High Similarity	NPC5676
0.8767	High Similarity	NPC476946
0.8714	High Similarity	NPC61788
0.871	High Similarity	NPC470792
0.869	High Similarity	NPC67003
0.8684	High Similarity	NPC237259
0.8684	High Similarity	NPC302054
0.8684	High Similarity	NPC34421
0.8684	High Similarity	NPC253201
0.8684	High Similarity	NPC98206
0.8684	High Similarity	NPC178932
0.8675	High Similarity	NPC291150
0.8675	High Similarity	NPC116717
0.8654	High Similarity	NPC663
0.8654	High Similarity	NPC224394
0.8649	High Similarity	NPC34056
0.8639	High Similarity	NPC243577
0.863	High Similarity	NPC205765
0.8627	High Similarity	NPC469336
0.8627	High Similarity	NPC25351
0.8627	High Similarity	NPC264943
0.8618	High Similarity	NPC472672
0.8618	High Similarity	NPC121615
0.8618	High Similarity	NPC471002
0.8618	High Similarity	NPC294511
0.8609	High Similarity	NPC5180
0.8599	High Similarity	NPC276551
0.8592	High Similarity	NPC471006
0.859	High Similarity	NPC69028
0.8581	High Similarity	NPC84349
0.8544	High Similarity	NPC470875
0.8543	High Similarity	NPC125182
0.8543	High Similarity	NPC69647
0.8535	High Similarity	NPC292389
0.8535	High Similarity	NPC469338
0.8535	High Similarity	NPC472773
0.8516	High Similarity	NPC470118
0.8516	High Similarity	NPC469847
0.8506	High Similarity	NPC281258
0.85	High Similarity	NPC470995
0.8481	Intermediate Similarity	NPC470940
0.8481	Intermediate Similarity	NPC469849
0.8471	Intermediate Similarity	NPC18986
0.8471	Intermediate Similarity	NPC472771
0.8462	Intermediate Similarity	NPC472823
0.8462	Intermediate Similarity	NPC472671
0.8462	Intermediate Similarity	NPC475226
0.8456	Intermediate Similarity	NPC476944
0.8456	Intermediate Similarity	NPC251865
0.8447	Intermediate Similarity	NPC285227
0.8446	Intermediate Similarity	NPC121158
0.8438	Intermediate Similarity	NPC471397
0.8435	Intermediate Similarity	NPC90296
0.8418	Intermediate Similarity	NPC283209
0.8418	Intermediate Similarity	NPC477405
0.8414	Intermediate Similarity	NPC46896
0.8411	Intermediate Similarity	NPC255414
0.8408	Intermediate Similarity	NPC287559
0.8408	Intermediate Similarity	NPC477402
0.8408	Intermediate Similarity	NPC470789
0.8397	Intermediate Similarity	NPC475066
0.8397	Intermediate Similarity	NPC472772
0.8397	Intermediate Similarity	NPC214495
0.8397	Intermediate Similarity	NPC472777
0.8397	Intermediate Similarity	NPC470119
0.8397	Intermediate Similarity	NPC472776
0.8397	Intermediate Similarity	NPC472778
0.8397	Intermediate Similarity	NPC194499
0.8389	Intermediate Similarity	NPC267632
0.8387	Intermediate Similarity	NPC35000
0.8377	Intermediate Similarity	NPC268905
0.8377	Intermediate Similarity	NPC469503
0.8377	Intermediate Similarity	NPC75906
0.8375	Intermediate Similarity	NPC472774
0.8375	Intermediate Similarity	NPC173516
0.8375	Intermediate Similarity	NPC472775
0.8366	Intermediate Similarity	NPC469335
0.8366	Intermediate Similarity	NPC156189
0.8366	Intermediate Similarity	NPC159927
0.8366	Intermediate Similarity	NPC228842
0.8357	Intermediate Similarity	NPC23086
0.8356	Intermediate Similarity	NPC4764
0.8355	Intermediate Similarity	NPC93666
0.8354	Intermediate Similarity	NPC68848
0.8354	Intermediate Similarity	NPC5741
0.8354	Intermediate Similarity	NPC471003
0.8354	Intermediate Similarity	NPC329938
0.8354	Intermediate Similarity	NPC263432
0.8345	Intermediate Similarity	NPC158525
0.8344	Intermediate Similarity	NPC307383
0.8344	Intermediate Similarity	NPC346
0.8344	Intermediate Similarity	NPC475967
0.8333	Intermediate Similarity	NPC142113
0.8323	Intermediate Similarity	NPC30222
0.8323	Intermediate Similarity	NPC472765
0.8323	Intermediate Similarity	NPC472766
0.8322	Intermediate Similarity	NPC263337
0.8313	Intermediate Similarity	NPC475779
0.8313	Intermediate Similarity	NPC121995
0.8302	Intermediate Similarity	NPC285567
0.8301	Intermediate Similarity	NPC195325
0.8299	Intermediate Similarity	NPC471996
0.8289	Intermediate Similarity	NPC71821
0.828	Intermediate Similarity	NPC304692
0.828	Intermediate Similarity	NPC299038
0.828	Intermediate Similarity	NPC88007
0.828	Intermediate Similarity	NPC7059
0.8269	Intermediate Similarity	NPC214541
0.8269	Intermediate Similarity	NPC44675
0.8264	Intermediate Similarity	NPC471995
0.8261	Intermediate Similarity	NPC472282
0.8261	Intermediate Similarity	NPC472764
0.8261	Intermediate Similarity	NPC476850
0.8261	Intermediate Similarity	NPC476861
0.825	Intermediate Similarity	NPC476858
0.825	Intermediate Similarity	NPC476857
0.825	Intermediate Similarity	NPC123088
0.825	Intermediate Similarity	NPC476856
0.8247	Intermediate Similarity	NPC196864
0.8247	Intermediate Similarity	NPC212257
0.8247	Intermediate Similarity	NPC477404
0.8243	Intermediate Similarity	NPC202260
0.8243	Intermediate Similarity	NPC90953
0.8242	Intermediate Similarity	NPC478177
0.8239	Intermediate Similarity	NPC5079
0.8239	Intermediate Similarity	NPC197596
0.8239	Intermediate Similarity	NPC79571
0.8239	Intermediate Similarity	NPC200782
0.8239	Intermediate Similarity	NPC472767
0.8232	Intermediate Similarity	NPC471437
0.8228	Intermediate Similarity	NPC477403
0.8224	Intermediate Similarity	NPC262198
0.8217	Intermediate Similarity	NPC41880
0.8217	Intermediate Similarity	NPC104736
0.8217	Intermediate Similarity	NPC469485
0.8214	Intermediate Similarity	NPC242068
0.8214	Intermediate Similarity	NPC247563
0.821	Intermediate Similarity	NPC160651
0.8205	Intermediate Similarity	NPC57998
0.8201	Intermediate Similarity	NPC477967
0.8199	Intermediate Similarity	NPC307781
0.8199	Intermediate Similarity	NPC472670
0.8194	Intermediate Similarity	NPC472787
0.8194	Intermediate Similarity	NPC298190
0.8194	Intermediate Similarity	NPC89133
0.8187	Intermediate Similarity	NPC234660
0.8187	Intermediate Similarity	NPC165218
0.8187	Intermediate Similarity	NPC51568
0.8182	Intermediate Similarity	NPC470791
0.8182	Intermediate Similarity	NPC470790
0.8176	Intermediate Similarity	NPC476943
0.8176	Intermediate Similarity	NPC25255
0.8176	Intermediate Similarity	NPC8389
0.817	Intermediate Similarity	NPC250228
0.8165	Intermediate Similarity	NPC472283
0.8165	Intermediate Similarity	NPC261597
0.8165	Intermediate Similarity	NPC195954
0.8165	Intermediate Similarity	NPC173544
0.8165	Intermediate Similarity	NPC167142
0.8158	Intermediate Similarity	NPC56731
0.8153	Intermediate Similarity	NPC469850
0.8153	Intermediate Similarity	NPC179170
0.8148	Intermediate Similarity	NPC476853
0.8148	Intermediate Similarity	NPC478179
0.8148	Intermediate Similarity	NPC310572
0.8148	Intermediate Similarity	NPC472651
0.8146	Intermediate Similarity	NPC103134
0.8141	Intermediate Similarity	NPC182427
0.8141	Intermediate Similarity	NPC29695
0.8141	Intermediate Similarity	NPC308205
0.8141	Intermediate Similarity	NPC322546
0.8138	Intermediate Similarity	NPC471817

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC302987 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	242
0.1-0.2	891
0.2-0.3	1781
0.3-0.4	2640
0.4-0.5	2082
0.5-0.6	1174
0.6-0.7	334
0.7-0.8	15
0.8-0.85	0
0.85-0.9	2
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8506	High Similarity	NPD5760	Phase 2
0.8506	High Similarity	NPD5761	Phase 2
0.7857	Intermediate Similarity	NPD6765	Approved
0.7857	Intermediate Similarity	NPD6764	Approved
0.7836	Intermediate Similarity	NPD8434	Phase 2
0.7674	Intermediate Similarity	NPD6784	Approved
0.7674	Intermediate Similarity	NPD6785	Approved
0.7419	Intermediate Similarity	NPD1471	Phase 3
0.741	Intermediate Similarity	NPD5537	Clinical (unspecified phase)
0.7389	Intermediate Similarity	NPD4628	Phase 3
0.7375	Intermediate Similarity	NPD6273	Approved
0.7308	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7118	Intermediate Similarity	NPD8127	Discontinued
0.7107	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7089	Intermediate Similarity	NPD2344	Approved
0.7081	Intermediate Similarity	NPD7236	Approved
0.703	Intermediate Similarity	NPD7458	Discontinued
0.6988	Remote Similarity	NPD7028	Phase 2
0.6987	Remote Similarity	NPD5735	Approved
0.6962	Remote Similarity	NPD2799	Discontinued
0.6933	Remote Similarity	NPD3972	Approved
0.6923	Remote Similarity	NPD8443	Clinical (unspecified phase)
0.6914	Remote Similarity	NPD2309	Approved
0.6889	Remote Similarity	NPD8055	Clinical (unspecified phase)
0.6879	Remote Similarity	NPD6355	Discontinued
0.6875	Remote Similarity	NPD2346	Discontinued
0.6867	Remote Similarity	NPD7239	Suspended
0.6864	Remote Similarity	NPD7096	Clinical (unspecified phase)
0.6864	Remote Similarity	NPD7819	Suspended
0.6864	Remote Similarity	NPD2393	Clinical (unspecified phase)
0.686	Remote Similarity	NPD5494	Approved
0.6859	Remote Similarity	NPD8032	Phase 2
0.6854	Remote Similarity	NPD6559	Discontinued
0.6852	Remote Similarity	NPD8166	Discontinued
0.6846	Remote Similarity	NPD3412	Clinical (unspecified phase)
0.6842	Remote Similarity	NPD1876	Approved
0.6826	Remote Similarity	NPD5808	Clinical (unspecified phase)
0.6826	Remote Similarity	NPD3226	Approved
0.6824	Remote Similarity	NPD5616	Clinical (unspecified phase)
0.6815	Remote Similarity	NPD4140	Approved
0.6795	Remote Similarity	NPD3268	Approved
0.6788	Remote Similarity	NPD7004	Clinical (unspecified phase)
0.6786	Remote Similarity	NPD6599	Discontinued
0.6784	Remote Similarity	NPD3882	Suspended
0.677	Remote Similarity	NPD5763	Approved
0.677	Remote Similarity	NPD5762	Approved
0.6748	Remote Similarity	NPD4109	Clinical (unspecified phase)
0.6748	Remote Similarity	NPD4110	Phase 3
0.6748	Remote Similarity	NPD7003	Approved
0.6744	Remote Similarity	NPD7075	Discontinued
0.673	Remote Similarity	NPD6353	Approved
0.6724	Remote Similarity	NPD7199	Phase 2
0.6724	Remote Similarity	NPD1247	Approved
0.6723	Remote Similarity	NPD3818	Discontinued
0.6723	Remote Similarity	NPD7893	Clinical (unspecified phase)
0.6717	Remote Similarity	NPD8404	Phase 2
0.671	Remote Similarity	NPD9494	Approved
0.6708	Remote Similarity	NPD6100	Approved
0.6708	Remote Similarity	NPD6099	Approved
0.6708	Remote Similarity	NPD2796	Approved
0.6706	Remote Similarity	NPD1934	Approved
0.6688	Remote Similarity	NPD2313	Discontinued
0.6686	Remote Similarity	NPD4380	Phase 2
0.6685	Remote Similarity	NPD5844	Phase 1
0.6667	Remote Similarity	NPD5327	Phase 3
0.6649	Remote Similarity	NPD3057	Approved
0.6647	Remote Similarity	NPD7411	Suspended
0.6646	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.6645	Remote Similarity	NPD2798	Approved
0.6645	Remote Similarity	NPD1547	Clinical (unspecified phase)
0.6627	Remote Similarity	NPD2651	Approved
0.6627	Remote Similarity	NPD2649	Approved
0.6626	Remote Similarity	NPD2424	Discontinued
0.6626	Remote Similarity	NPD1549	Phase 2
0.661	Remote Similarity	NPD4575	Clinical (unspecified phase)
0.6608	Remote Similarity	NPD6801	Discontinued
0.6607	Remote Similarity	NPD920	Approved
0.6599	Remote Similarity	NPD1241	Discontinued
0.6591	Remote Similarity	NPD6808	Phase 2
0.659	Remote Similarity	NPD4868	Clinical (unspecified phase)
0.6587	Remote Similarity	NPD4378	Clinical (unspecified phase)
0.6585	Remote Similarity	NPD2800	Approved
0.6582	Remote Similarity	NPD6798	Discontinued
0.6581	Remote Similarity	NPD3266	Approved
0.6581	Remote Similarity	NPD3267	Approved
0.6579	Remote Similarity	NPD7457	Clinical (unspecified phase)
0.657	Remote Similarity	NPD2801	Approved
0.6564	Remote Similarity	NPD1550	Clinical (unspecified phase)
0.6564	Remote Similarity	NPD1552	Clinical (unspecified phase)
0.6562	Remote Similarity	NPD2491	Approved
0.6562	Remote Similarity	NPD2972	Approved
0.6562	Remote Similarity	NPD3533	Approved
0.6554	Remote Similarity	NPD7184	Clinical (unspecified phase)
0.6552	Remote Similarity	NPD3749	Approved
0.6552	Remote Similarity	NPD4381	Clinical (unspecified phase)
0.6545	Remote Similarity	NPD3750	Approved
0.6541	Remote Similarity	NPD6663	Approved
0.6538	Remote Similarity	NPD5647	Approved
0.6536	Remote Similarity	NPD2163	Approved
0.6536	Remote Similarity	NPD7799	Discontinued
0.6527	Remote Similarity	NPD6143	Clinical (unspecified phase)
0.6527	Remote Similarity	NPD6799	Approved
0.6519	Remote Similarity	NPD7095	Approved
0.6519	Remote Similarity	NPD5952	Clinical (unspecified phase)
0.6517	Remote Similarity	NPD6168	Clinical (unspecified phase)
0.6517	Remote Similarity	NPD6166	Phase 2
0.6517	Remote Similarity	NPD6167	Clinical (unspecified phase)
0.6514	Remote Similarity	NPD919	Approved
0.6513	Remote Similarity	NPD2932	Approved
0.6512	Remote Similarity	NPD6279	Approved
0.6512	Remote Similarity	NPD6280	Approved
0.6512	Remote Similarity	NPD6844	Discontinued
0.651	Remote Similarity	NPD7157	Approved
0.6503	Remote Similarity	NPD8312	Approved
0.6503	Remote Similarity	NPD8313	Approved
0.65	Remote Similarity	NPD3619	Clinical (unspecified phase)
0.65	Remote Similarity	NPD3620	Phase 2
0.6494	Remote Similarity	NPD7057	Phase 3
0.6494	Remote Similarity	NPD4965	Approved
0.6494	Remote Similarity	NPD4967	Phase 2
0.6494	Remote Similarity	NPD7058	Phase 2
0.6494	Remote Similarity	NPD4966	Approved
0.6494	Remote Similarity	NPD1608	Approved
0.6488	Remote Similarity	NPD642	Clinical (unspecified phase)
0.6484	Remote Similarity	NPD7685	Pre-registration
0.648	Remote Similarity	NPD7473	Discontinued
0.6477	Remote Similarity	NPD3448	Approved
0.6474	Remote Similarity	NPD2797	Approved
0.6467	Remote Similarity	NPD643	Clinical (unspecified phase)
0.6464	Remote Similarity	NPD7074	Phase 3
0.6463	Remote Similarity	NPD6004	Phase 3
0.6463	Remote Similarity	NPD6006	Clinical (unspecified phase)
0.6463	Remote Similarity	NPD6002	Phase 3
0.6463	Remote Similarity	NPD6005	Phase 3
0.6463	Remote Similarity	NPD6003	Clinical (unspecified phase)
0.6461	Remote Similarity	NPD3926	Phase 2
0.6456	Remote Similarity	NPD6832	Phase 2
0.6443	Remote Similarity	NPD7497	Discontinued
0.6442	Remote Similarity	NPD3748	Approved
0.6442	Remote Similarity	NPD1510	Phase 2
0.6442	Remote Similarity	NPD4308	Phase 3
0.6441	Remote Similarity	NPD6959	Discontinued
0.6437	Remote Similarity	NPD2296	Approved
0.6437	Remote Similarity	NPD5978	Approved
0.6437	Remote Similarity	NPD3817	Phase 2
0.6437	Remote Similarity	NPD5977	Approved
0.6429	Remote Similarity	NPD1511	Approved
0.6425	Remote Similarity	NPD7852	Clinical (unspecified phase)
0.6424	Remote Similarity	NPD9092	Discovery
0.642	Remote Similarity	NPD6653	Approved
0.642	Remote Similarity	NPD6234	Discontinued
0.6417	Remote Similarity	NPD8397	Clinical (unspecified phase)
0.6416	Remote Similarity	NPD37	Approved
0.6416	Remote Similarity	NPD7577	Discontinued
0.641	Remote Similarity	NPD8651	Approved
0.641	Remote Similarity	NPD1283	Approved
0.6409	Remote Similarity	NPD7054	Approved
0.6409	Remote Similarity	NPD7804	Clinical (unspecified phase)
0.6407	Remote Similarity	NPD3887	Approved
0.6407	Remote Similarity	NPD2354	Approved
0.6405	Remote Similarity	NPD3019	Approved
0.6402	Remote Similarity	NPD2935	Discontinued
0.6398	Remote Similarity	NPD4060	Phase 1
0.6392	Remote Similarity	NPD5736	Approved
0.6391	Remote Similarity	NPD2532	Approved
0.6391	Remote Similarity	NPD4661	Approved
0.6391	Remote Similarity	NPD2534	Approved
0.6391	Remote Similarity	NPD4662	Approved
0.6391	Remote Similarity	NPD7410	Clinical (unspecified phase)
0.6391	Remote Similarity	NPD2533	Approved
0.6382	Remote Similarity	NPD5676	Approved
0.638	Remote Similarity	NPD7097	Phase 1
0.6375	Remote Similarity	NPD3764	Approved
0.6375	Remote Similarity	NPD6859	Clinical (unspecified phase)
0.6374	Remote Similarity	NPD7472	Approved
0.6373	Remote Similarity	NPD4107	Approved
0.6358	Remote Similarity	NPD6677	Suspended
0.6354	Remote Similarity	NPD7228	Approved
0.6354	Remote Similarity	NPD3751	Discontinued
0.6353	Remote Similarity	NPD1512	Approved
0.6351	Remote Similarity	NPD1609	Clinical (unspecified phase)
0.6349	Remote Similarity	NPD7879	Clinical (unspecified phase)
0.6343	Remote Similarity	NPD5402	Approved
0.6341	Remote Similarity	NPD7033	Discontinued
0.634	Remote Similarity	NPD1651	Approved
0.6339	Remote Similarity	NPD7993	Clinical (unspecified phase)
0.6339	Remote Similarity	NPD3823	Discontinued
0.6335	Remote Similarity	NPD6233	Phase 2
0.6329	Remote Similarity	NPD4624	Approved
0.6325	Remote Similarity	NPD4534	Discontinued
0.6319	Remote Similarity	NPD1607	Approved
0.6316	Remote Similarity	NPD6980	Clinical (unspecified phase)
0.6316	Remote Similarity	NPD5403	Approved
0.6313	Remote Similarity	NPD7229	Phase 3
0.6313	Remote Similarity	NPD6232	Discontinued
0.631	Remote Similarity	NPD8150	Discontinued
0.6307	Remote Similarity	NPD7768	Phase 2
0.6304	Remote Similarity	NPD7251	Discontinued
0.6303	Remote Similarity	NPD1551	Phase 2
0.6303	Remote Similarity	NPD2438	Suspended

Structure

NPC302987 OpenBabel07101719252D 31 35 0 0 1 0 0 0 0 0999 V2000 -3.5640 -1.7588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3198 -0.8090 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 -0.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0685 1.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 1.4781 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 -1.7321 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1965 1.1303 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 1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0625 0.6303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8601 -0.4523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4676 -0.5086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4533 0.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4752 0.6691 0.0000 C 0 0 1 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 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7321 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8660 0.5000 0.0000 C 0 0 2 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 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 -0.8660 -1.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2609 0.1002 0.0000 O 0 0 0 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 -2.5981 0.5000 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 4.8546 -0.3478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5 6 1 0 0 0 0 5 16 1 0 0 0 0 6 17 2 0 0 0 0 7 11 1 0 0 0 0 7 18 1 0 0 0 0 8 10 2 0 0 0 0 8 19 1 0 0 0 0 9 12 2 0 0 0 0 9 15 1 0 0 0 0 10 23 1 0 0 0 0 11 24 1 0 0 0 0 12 31 1 0 0 0 0 13 15 2 0 0 0 0 13 31 1 0 0 0 0 14 23 1 0 0 0 0 14 27 2 0 0 0 0 15 16 1 0 0 0 0 16 24 1 1 0 0 0 17 24 1 0 0 0 0 17 25 1 0 0 0 0 18 25 1 6 0 0 0 18 26 1 0 0 0 0 19 26 1 0 0 0 0 19 28 2 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 29 1 1 0 0 0 21 23 1 6 0 0 0 21 26 1 0 0 0 0 22 25 1 1 0 0 0 22 30 1 0 0 0 0 23 1 1 6 0 0 0 24 2 1 1 0 0 0 25 3 1 6 0 0 0 26 4 1 6 0 0 0 M END $$$$

External Identifiers

PubChem CID	51041020
ChEMBL	CHEMBL2335024
ZINC

Physicochemical Properties

Molecular Weight:	424.22
ALogP:	0.0781
MLogP:	3.77
XLogP:	2.963
# Rotatable Bonds:	8
Polar Surface Area:	87.74
# H-Bond Aceptor:	4
# H-Bond Donor:	2
# Rings:	5
# Heavy Atoms:	31

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