NPASS Natural Product

Natural Product: NPC151616

Natural Product ID:	NPC151616
Common Name:	Chisonimbolinin A
IUPAC Name:
Synonyms:
Molecular Formula:	C36H48O11
Standard InCHIKey:	DMPFCGJDIPKIKY-UFKTTZDTSA-N
Standard InCHI:	InChI=1S/C36H48O11/c1-10-17(2)32(39)47-31-29-30-34(6,16-43-29)25(44-19(4)37)15-26(45-20(5)38)35(30,7)24-14-27(41-9)46-23-13-22(21-11-12-42-33(21)40)18(3)28(23)36(24,31)8/h10-11,22-27,29-31H,12-16H2,1-9H3/b17-10+/t22-,23+,24-,25-,26+,27-,29-,30+,31-,34-,35+,36-/m1/s1
Canonical SMILES:	CO[C@@H]1O[C@H]2C[C@H](C(=C2[C@]2([C@H](C1)[C@@]1(C)[C@@H](OC(=O)C)C[C@H]([C@@]3([C@@H]1[C@H]([C@H]2OC(=O)/C(=C/C)/C)OC3)C)OC(=O)C)C)C)C1=CCOC1=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
NPO19151	Chisocheton paniculatus	Species	Meliaceae	Eukaryota				PMID[19943621]

Biological Activity

Activity Type	# Activity
IC50	2

Activity Type	# Activity
Cell Line	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT165	Cell Line	HeLa	Homo sapiens	IC50	>	100000	nM	20189404
NPT659	Cell Line	SMMC-7721	Homo sapiens	IC50	>	100000	nM	22560833

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 NPC151616 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	204
0.1-0.2	1083
0.2-0.3	3093
0.3-0.4	4920
0.4-0.5	10081
0.5-0.6	5581
0.6-0.7	4392
0.7-0.8	1488
0.8-0.85	39
0.85-0.9	2
0.9-0.95	1
0.95-1	5

Similarity Score	Similarity Level	Natural Product ID
0.9649	High Similarity	NPC75856
0.9649	High Similarity	NPC469379
0.9649	High Similarity	NPC86346
0.9561	High Similarity	NPC469382
0.9545	High Similarity	NPC90472
0.9211	High Similarity	NPC469380
0.8772	High Similarity	NPC470120
0.8729	High Similarity	NPC204731
0.8462	Intermediate Similarity	NPC471816
0.8387	Intermediate Similarity	NPC470851
0.8374	Intermediate Similarity	NPC298841
0.8362	Intermediate Similarity	NPC222834
0.8333	Intermediate Similarity	NPC4548
0.8305	Intermediate Similarity	NPC243981
0.8261	Intermediate Similarity	NPC112457
0.8254	Intermediate Similarity	NPC472769
0.8226	Intermediate Similarity	NPC42399
0.8182	Intermediate Similarity	NPC470312
0.8175	Intermediate Similarity	NPC471170
0.816	Intermediate Similarity	NPC470850
0.8158	Intermediate Similarity	NPC469401
0.8151	Intermediate Similarity	NPC106228
0.8151	Intermediate Similarity	NPC138372
0.813	Intermediate Similarity	NPC27363
0.8099	Intermediate Similarity	NPC9674
0.8099	Intermediate Similarity	NPC19028
0.8095	Intermediate Similarity	NPC472770
0.8095	Intermediate Similarity	NPC175186
0.8083	Intermediate Similarity	NPC473968
0.808	Intermediate Similarity	NPC240070
0.808	Intermediate Similarity	NPC469757
0.808	Intermediate Similarity	NPC117702
0.808	Intermediate Similarity	NPC471357
0.808	Intermediate Similarity	NPC179412
0.808	Intermediate Similarity	NPC329784
0.808	Intermediate Similarity	NPC146456
0.808	Intermediate Similarity	NPC471356
0.8047	Intermediate Similarity	NPC142756
0.8047	Intermediate Similarity	NPC88668
0.8036	Intermediate Similarity	NPC473219
0.8036	Intermediate Similarity	NPC470761
0.8034	Intermediate Similarity	NPC253906
0.8033	Intermediate Similarity	NPC241192
0.8016	Intermediate Similarity	NPC311534
0.8	Intermediate Similarity	NPC470793
0.8	Intermediate Similarity	NPC250556
0.8	Intermediate Similarity	NPC469750
0.7983	Intermediate Similarity	NPC157441
0.7983	Intermediate Similarity	NPC473535
0.7982	Intermediate Similarity	NPC471364
0.7982	Intermediate Similarity	NPC120009
0.7982	Intermediate Similarity	NPC132395
0.7982	Intermediate Similarity	NPC471365
0.7969	Intermediate Similarity	NPC93416
0.7969	Intermediate Similarity	NPC471855
0.7953	Intermediate Similarity	NPC251866
0.7953	Intermediate Similarity	NPC471358
0.7953	Intermediate Similarity	NPC180079
0.7953	Intermediate Similarity	NPC469755
0.7953	Intermediate Similarity	NPC284406
0.7953	Intermediate Similarity	NPC219085
0.7953	Intermediate Similarity	NPC471361
0.7953	Intermediate Similarity	NPC469754
0.7953	Intermediate Similarity	NPC104382
0.7953	Intermediate Similarity	NPC89514
0.7953	Intermediate Similarity	NPC10823
0.7953	Intermediate Similarity	NPC469753
0.7953	Intermediate Similarity	NPC276838
0.7953	Intermediate Similarity	NPC17896
0.7953	Intermediate Similarity	NPC6108
0.7953	Intermediate Similarity	NPC469752
0.7953	Intermediate Similarity	NPC9499
0.7953	Intermediate Similarity	NPC232785
0.7953	Intermediate Similarity	NPC140092
0.7953	Intermediate Similarity	NPC471360
0.7953	Intermediate Similarity	NPC91
0.7953	Intermediate Similarity	NPC188234
0.7953	Intermediate Similarity	NPC471352
0.7953	Intermediate Similarity	NPC329986
0.7953	Intermediate Similarity	NPC197707
0.7953	Intermediate Similarity	NPC469751
0.7953	Intermediate Similarity	NPC70542
0.7953	Intermediate Similarity	NPC125077
0.7953	Intermediate Similarity	NPC471359
0.7953	Intermediate Similarity	NPC86159
0.7951	Intermediate Similarity	NPC161065
0.7951	Intermediate Similarity	NPC476529
0.7951	Intermediate Similarity	NPC475775
0.7951	Intermediate Similarity	NPC122971
0.7949	Intermediate Similarity	NPC206618
0.7934	Intermediate Similarity	NPC474483
0.7934	Intermediate Similarity	NPC284068
0.7934	Intermediate Similarity	NPC13713
0.7931	Intermediate Similarity	NPC180744
0.7917	Intermediate Similarity	NPC472274
0.7907	Intermediate Similarity	NPC225385
0.7907	Intermediate Similarity	NPC298783
0.7907	Intermediate Similarity	NPC157817
0.7907	Intermediate Similarity	NPC247190
0.7907	Intermediate Similarity	NPC104585
0.7907	Intermediate Similarity	NPC477709
0.7907	Intermediate Similarity	NPC476221
0.7907	Intermediate Similarity	NPC32793
0.7907	Intermediate Similarity	NPC116075
0.7907	Intermediate Similarity	NPC146857
0.7907	Intermediate Similarity	NPC469749
0.7899	Intermediate Similarity	NPC470063
0.7899	Intermediate Similarity	NPC194951
0.7899	Intermediate Similarity	NPC12046
0.7891	Intermediate Similarity	NPC16569
0.7891	Intermediate Similarity	NPC253456
0.7891	Intermediate Similarity	NPC159338
0.7886	Intermediate Similarity	NPC476150
0.7886	Intermediate Similarity	NPC476127
0.7886	Intermediate Similarity	NPC143755
0.7886	Intermediate Similarity	NPC109607
0.7886	Intermediate Similarity	NPC107338
0.7876	Intermediate Similarity	NPC469402
0.7876	Intermediate Similarity	NPC473545
0.7876	Intermediate Similarity	NPC472187
0.7874	Intermediate Similarity	NPC270109
0.7869	Intermediate Similarity	NPC473828
0.7869	Intermediate Similarity	NPC473617
0.7863	Intermediate Similarity	NPC392
0.7863	Intermediate Similarity	NPC38948
0.7863	Intermediate Similarity	NPC177524
0.7863	Intermediate Similarity	NPC219900
0.7846	Intermediate Similarity	NPC329636
0.7845	Intermediate Similarity	NPC476760
0.7845	Intermediate Similarity	NPC476761
0.7845	Intermediate Similarity	NPC476762
0.784	Intermediate Similarity	NPC472768
0.7836	Intermediate Similarity	NPC5153
0.7836	Intermediate Similarity	NPC48414
0.7829	Intermediate Similarity	NPC42670
0.7829	Intermediate Similarity	NPC19124
0.7826	Intermediate Similarity	NPC254202
0.7823	Intermediate Similarity	NPC202051
0.7823	Intermediate Similarity	NPC476204
0.7823	Intermediate Similarity	NPC170084
0.7815	Intermediate Similarity	NPC17791
0.7812	Intermediate Similarity	NPC471407
0.7805	Intermediate Similarity	NPC477071
0.7805	Intermediate Similarity	NPC472667
0.7805	Intermediate Similarity	NPC312536
0.7797	Intermediate Similarity	NPC40728
0.7797	Intermediate Similarity	NPC469370
0.7788	Intermediate Similarity	NPC471366
0.7788	Intermediate Similarity	NPC472186
0.7788	Intermediate Similarity	NPC318917
0.7788	Intermediate Similarity	NPC476800
0.7786	Intermediate Similarity	NPC194716
0.7778	Intermediate Similarity	NPC471171
0.7769	Intermediate Similarity	NPC178289
0.7759	Intermediate Similarity	NPC476763
0.7759	Intermediate Similarity	NPC476764
0.7759	Intermediate Similarity	NPC477127
0.7752	Intermediate Similarity	NPC173347
0.775	Intermediate Similarity	NPC328074
0.775	Intermediate Similarity	NPC321272
0.775	Intermediate Similarity	NPC317460
0.775	Intermediate Similarity	NPC470025
0.7742	Intermediate Similarity	NPC48692
0.7739	Intermediate Similarity	NPC162973
0.7734	Intermediate Similarity	NPC245094
0.7734	Intermediate Similarity	NPC473620
0.7731	Intermediate Similarity	NPC119550
0.7731	Intermediate Similarity	NPC475563
0.7731	Intermediate Similarity	NPC475134
0.7731	Intermediate Similarity	NPC83005
0.7731	Intermediate Similarity	NPC316708
0.7727	Intermediate Similarity	NPC329675
0.7727	Intermediate Similarity	NPC59288
0.7724	Intermediate Similarity	NPC475372
0.7721	Intermediate Similarity	NPC471172
0.7719	Intermediate Similarity	NPC473204
0.7719	Intermediate Similarity	NPC471413
0.7717	Intermediate Similarity	NPC174367
0.7717	Intermediate Similarity	NPC47113
0.7717	Intermediate Similarity	NPC222307
0.7712	Intermediate Similarity	NPC217921
0.7712	Intermediate Similarity	NPC135015
0.7712	Intermediate Similarity	NPC128795
0.7712	Intermediate Similarity	NPC48548
0.771	Intermediate Similarity	NPC471234
0.7705	Intermediate Similarity	NPC302471
0.7699	Intermediate Similarity	NPC472188
0.7698	Intermediate Similarity	NPC473979
0.7698	Intermediate Similarity	NPC471392
0.7698	Intermediate Similarity	NPC469352
0.7698	Intermediate Similarity	NPC41129
0.7692	Intermediate Similarity	NPC478153
0.7692	Intermediate Similarity	NPC478150
0.7692	Intermediate Similarity	NPC180902
0.7692	Intermediate Similarity	NPC475139
0.7692	Intermediate Similarity	NPC51719
0.7692	Intermediate Similarity	NPC218158
0.7692	Intermediate Similarity	NPC478152
0.7686	Intermediate Similarity	NPC470027
0.7686	Intermediate Similarity	NPC311592

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC151616 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	206
0.1-0.2	1613
0.2-0.3	3736
0.3-0.4	2332
0.4-0.5	813
0.5-0.6	284
0.6-0.7	142
0.7-0.8	34
0.8-0.85	1
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8	Intermediate Similarity	NPD7507	Approved
0.7953	Intermediate Similarity	NPD7319	Approved
0.7863	Intermediate Similarity	NPD6686	Approved
0.7661	Intermediate Similarity	NPD7516	Approved
0.7581	Intermediate Similarity	NPD7328	Approved
0.7581	Intermediate Similarity	NPD7327	Approved
0.754	Intermediate Similarity	NPD8378	Approved
0.754	Intermediate Similarity	NPD8335	Approved
0.754	Intermediate Similarity	NPD8379	Approved
0.754	Intermediate Similarity	NPD8033	Approved
0.754	Intermediate Similarity	NPD8296	Approved
0.754	Intermediate Similarity	NPD8380	Approved
0.7462	Intermediate Similarity	NPD7736	Approved
0.746	Intermediate Similarity	NPD8294	Approved
0.746	Intermediate Similarity	NPD8377	Approved
0.7385	Intermediate Similarity	NPD8293	Discontinued
0.7344	Intermediate Similarity	NPD6370	Approved
0.7333	Intermediate Similarity	NPD5954	Clinical (unspecified phase)
0.7252	Intermediate Similarity	NPD7078	Approved
0.725	Intermediate Similarity	NPD6008	Approved
0.7231	Intermediate Similarity	NPD7492	Approved
0.7188	Intermediate Similarity	NPD6054	Approved
0.7176	Intermediate Similarity	NPD6616	Approved
0.7154	Intermediate Similarity	NPD5955	Clinical (unspecified phase)
0.7073	Intermediate Similarity	NPD4061	Clinical (unspecified phase)
0.7054	Intermediate Similarity	NPD6059	Approved
0.7049	Intermediate Similarity	NPD6412	Phase 2
0.7049	Intermediate Similarity	NPD7899	Clinical (unspecified phase)
0.704	Intermediate Similarity	NPD6882	Approved
0.704	Intermediate Similarity	NPD8297	Approved
0.7034	Intermediate Similarity	NPD7638	Approved
0.7023	Intermediate Similarity	NPD8328	Phase 3
0.7	Intermediate Similarity	NPD6015	Approved
0.7	Intermediate Similarity	NPD7503	Approved
0.7	Intermediate Similarity	NPD6016	Approved
0.6975	Remote Similarity	NPD7639	Approved
0.6975	Remote Similarity	NPD7640	Approved
0.6953	Remote Similarity	NPD6009	Approved
0.6947	Remote Similarity	NPD5988	Approved
0.6935	Remote Similarity	NPD8132	Clinical (unspecified phase)
0.6909	Remote Similarity	NPD4752	Clinical (unspecified phase)
0.6905	Remote Similarity	NPD6053	Discontinued
0.6891	Remote Similarity	NPD4225	Approved
0.687	Remote Similarity	NPD8516	Approved
0.687	Remote Similarity	NPD8517	Approved
0.687	Remote Similarity	NPD8515	Approved
0.687	Remote Similarity	NPD8513	Phase 3
0.685	Remote Similarity	NPD8133	Approved
0.6822	Remote Similarity	NPD8295	Clinical (unspecified phase)
0.6794	Remote Similarity	NPD6319	Approved
0.6767	Remote Similarity	NPD6067	Discontinued
0.672	Remote Similarity	NPD6899	Approved
0.672	Remote Similarity	NPD7320	Approved
0.672	Remote Similarity	NPD6881	Approved
0.6719	Remote Similarity	NPD4632	Approved
0.6694	Remote Similarity	NPD6675	Approved
0.6694	Remote Similarity	NPD7128	Approved
0.6694	Remote Similarity	NPD6402	Approved
0.6694	Remote Similarity	NPD5739	Approved
0.6693	Remote Similarity	NPD6649	Approved
0.6693	Remote Similarity	NPD6650	Approved
0.6693	Remote Similarity	NPD8130	Phase 1
0.6692	Remote Similarity	NPD7115	Discovery
0.6667	Remote Similarity	NPD6372	Approved
0.6667	Remote Similarity	NPD6373	Approved
0.664	Remote Similarity	NPD5697	Approved
0.6619	Remote Similarity	NPD8338	Approved
0.6614	Remote Similarity	NPD6883	Approved
0.6614	Remote Similarity	NPD7102	Approved
0.6614	Remote Similarity	NPD7290	Approved
0.6587	Remote Similarity	NPD5345	Clinical (unspecified phase)
0.6579	Remote Similarity	NPD1694	Approved
0.6569	Remote Similarity	NPD6033	Approved
0.6562	Remote Similarity	NPD6847	Approved
0.6562	Remote Similarity	NPD6869	Approved
0.6562	Remote Similarity	NPD6617	Approved
0.6557	Remote Similarity	NPD6648	Approved
0.6555	Remote Similarity	NPD7900	Approved
0.6555	Remote Similarity	NPD7901	Clinical (unspecified phase)
0.6552	Remote Similarity	NPD6903	Approved
0.6535	Remote Similarity	NPD6012	Approved
0.6535	Remote Similarity	NPD6014	Approved
0.6535	Remote Similarity	NPD6013	Approved
0.6522	Remote Similarity	NPD7521	Approved
0.6522	Remote Similarity	NPD5330	Approved
0.6522	Remote Similarity	NPD6684	Approved
0.6522	Remote Similarity	NPD7146	Approved
0.6522	Remote Similarity	NPD7334	Approved
0.6522	Remote Similarity	NPD6409	Approved
0.6519	Remote Similarity	NPD7604	Phase 2
0.6508	Remote Similarity	NPD5701	Approved
0.6504	Remote Similarity	NPD5344	Discontinued
0.65	Remote Similarity	NPD1698	Clinical (unspecified phase)
0.65	Remote Similarity	NPD6356	Clinical (unspecified phase)
0.6496	Remote Similarity	NPD1695	Approved
0.6493	Remote Similarity	NPD5983	Phase 2
0.6484	Remote Similarity	NPD6371	Approved
0.6457	Remote Similarity	NPD6011	Approved
0.6452	Remote Similarity	NPD7632	Discontinued
0.6449	Remote Similarity	NPD8336	Approved
0.6449	Remote Similarity	NPD8337	Approved
0.6441	Remote Similarity	NPD46	Approved
0.6441	Remote Similarity	NPD6698	Approved
0.6423	Remote Similarity	NPD6336	Discontinued
0.6417	Remote Similarity	NPD7748	Approved
0.641	Remote Similarity	NPD7513	Clinical (unspecified phase)
0.6393	Remote Similarity	NPD7902	Approved
0.6377	Remote Similarity	NPD8074	Phase 3
0.6349	Remote Similarity	NPD8170	Clinical (unspecified phase)
0.6341	Remote Similarity	NPD8029	Clinical (unspecified phase)
0.6333	Remote Similarity	NPD6399	Phase 3
0.6325	Remote Similarity	NPD3573	Approved
0.632	Remote Similarity	NPD5211	Phase 2
0.6312	Remote Similarity	NPD7260	Phase 2
0.6308	Remote Similarity	NPD8413	Clinical (unspecified phase)
0.6308	Remote Similarity	NPD6401	Clinical (unspecified phase)
0.6293	Remote Similarity	NPD1733	Clinical (unspecified phase)
0.629	Remote Similarity	NPD5286	Approved
0.629	Remote Similarity	NPD4696	Approved
0.629	Remote Similarity	NPD5285	Approved
0.628	Remote Similarity	NPD7799	Discontinued
0.6271	Remote Similarity	NPD6672	Approved
0.6271	Remote Similarity	NPD5737	Approved
0.6268	Remote Similarity	NPD6845	Suspended
0.6267	Remote Similarity	NPD7625	Phase 1
0.626	Remote Similarity	NPD4755	Approved
0.625	Remote Similarity	NPD6079	Approved
0.625	Remote Similarity	NPD5693	Phase 1
0.6241	Remote Similarity	NPD6274	Approved
0.6231	Remote Similarity	NPD4634	Approved
0.6222	Remote Similarity	NPD7101	Approved
0.6222	Remote Similarity	NPD7100	Approved
0.622	Remote Similarity	NPD5141	Approved
0.6218	Remote Similarity	NPD5328	Approved
0.619	Remote Similarity	NPD5224	Approved
0.619	Remote Similarity	NPD5225	Approved
0.619	Remote Similarity	NPD4633	Approved
0.619	Remote Similarity	NPD5226	Approved
0.6167	Remote Similarity	NPD7838	Discovery
0.616	Remote Similarity	NPD4700	Approved
0.6159	Remote Similarity	NPD7829	Approved
0.6159	Remote Similarity	NPD7830	Approved
0.6148	Remote Similarity	NPD6001	Approved
0.6148	Remote Similarity	NPD6335	Approved
0.6142	Remote Similarity	NPD5175	Approved
0.6142	Remote Similarity	NPD5174	Approved
0.6131	Remote Similarity	NPD6921	Approved
0.6131	Remote Similarity	NPD6291	Clinical (unspecified phase)
0.6129	Remote Similarity	NPD6084	Phase 2
0.6129	Remote Similarity	NPD6083	Phase 2
0.6116	Remote Similarity	NPD7515	Phase 2
0.6116	Remote Similarity	NPD8035	Phase 2
0.6116	Remote Similarity	NPD7983	Approved
0.6116	Remote Similarity	NPD8034	Phase 2
0.6111	Remote Similarity	NPD5223	Approved
0.6083	Remote Similarity	NPD6051	Approved
0.6083	Remote Similarity	NPD6904	Approved
0.6083	Remote Similarity	NPD6080	Approved
0.6083	Remote Similarity	NPD6673	Approved
0.6077	Remote Similarity	NPD4730	Approved
0.6077	Remote Similarity	NPD4729	Approved
0.6074	Remote Similarity	NPD6317	Approved
0.6068	Remote Similarity	NPD6400	Clinical (unspecified phase)
0.6066	Remote Similarity	NPD5778	Approved
0.6066	Remote Similarity	NPD5779	Approved
0.6048	Remote Similarity	NPD5221	Approved
0.6048	Remote Similarity	NPD5220	Clinical (unspecified phase)
0.6048	Remote Similarity	NPD5222	Approved
0.6047	Remote Similarity	NPD4768	Approved
0.6047	Remote Similarity	NPD4767	Approved
0.6029	Remote Similarity	NPD6313	Approved
0.6029	Remote Similarity	NPD6314	Approved
0.6014	Remote Similarity	NPD6908	Approved
0.6014	Remote Similarity	NPD6909	Approved
0.6014	Remote Similarity	NPD5956	Approved
0.6	Remote Similarity	NPD5173	Approved
0.6	Remote Similarity	NPD6868	Approved
0.5986	Remote Similarity	NPD7966	Clinical (unspecified phase)
0.5985	Remote Similarity	NPD5251	Approved
0.5985	Remote Similarity	NPD5247	Approved
0.5985	Remote Similarity	NPD5248	Approved
0.5985	Remote Similarity	NPD5250	Approved
0.5985	Remote Similarity	NPD5249	Phase 3
0.5984	Remote Similarity	NPD7637	Suspended
0.5968	Remote Similarity	NPD5695	Phase 3
0.5966	Remote Similarity	NPD3618	Phase 1
0.5954	Remote Similarity	NPD5128	Approved
0.5952	Remote Similarity	NPD5696	Approved
0.5948	Remote Similarity	NPD1780	Approved
0.5948	Remote Similarity	NPD1779	Approved
0.5935	Remote Similarity	NPD4202	Approved
0.5929	Remote Similarity	NPD7122	Discontinued
0.592	Remote Similarity	NPD4697	Phase 3
0.5902	Remote Similarity	NPD5207	Approved
0.5902	Remote Similarity	NPD5785	Approved
0.5891	Remote Similarity	NPD4754	Approved
0.5887	Remote Similarity	NPD5282	Discontinued
0.5868	Remote Similarity	NPD5208	Approved
0.5859	Remote Similarity	NPD1700	Approved
0.5854	Remote Similarity	NPD6411	Approved

Structure

NPC151616 OpenBabel07101719522D 47 52 0 0 1 0 0 0 0 0999 V2000 1.7045 3.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4513 4.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3781 1.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8898 1.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5703 -0.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5286 2.0989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0357 -0.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5437 -0.8650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7628 -3.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5630 2.5809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 0.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3090 0.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8781 -1.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1160 -1.4615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2787 0.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2302 2.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4364 3.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3781 0.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9954 1.0733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8475 -1.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6180 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5691 -0.3090 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8781 -1.2601 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9818 -0.4705 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2665 1.1769 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6506 -0.1526 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4250 -2.1843 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1871 -0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0117 1.5292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8702 1.0163 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1383 1.0422 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2948 2.5550 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 7.6232 1.6743 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8552 0.0164 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1234 0.0424 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9356 0.0751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0846 -2.3760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1682 3.0420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 -1.5878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7764 -3.1205 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 6.2342 2.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1609 1.6242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8877 -1.1241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4290 -2.0946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2799 1.5551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 2 17 1 0 0 0 0 3 18 1 0 0 0 0 4 19 1 0 0 0 0 5 20 1 0 0 0 0 9 41 1 0 0 0 0 10 17 2 0 0 0 0 11 12 1 0 0 0 0 11 21 2 0 0 0 0 12 42 1 0 0 0 0 13 22 1 0 0 0 0 14 24 1 0 0 0 0 14 27 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 16 34 1 0 0 0 0 16 43 1 0 0 0 0 17 32 1 0 0 0 0 18 22 1 0 0 0 0 18 28 2 0 0 0 0 19 37 2 0 0 0 0 19 44 1 0 0 0 0 20 38 2 0 0 0 0 20 45 1 0 0 0 0 21 33 1 0 0 0 0 22 21 1 1 0 0 0 23 13 1 1 0 0 0 23 28 1 0 0 0 0 23 46 1 0 0 0 0 24 35 1 1 0 0 0 24 36 1 0 0 0 0 25 34 1 6 0 0 0 25 44 1 0 0 0 0 26 35 1 6 0 0 0 26 45 1 0 0 0 0 27 41 1 6 0 0 0 27 46 1 0 0 0 0 28 36 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 43 1 6 0 0 0 30 34 1 1 0 0 0 30 35 1 0 0 0 0 31 36 1 6 0 0 0 31 47 1 0 0 0 0 32 39 2 0 0 0 0 32 47 1 0 0 0 0 33 40 2 0 0 0 0 33 42 1 0 0 0 0 34 6 1 1 0 0 0 35 7 1 1 0 0 0 36 8 1 1 0 0 0 M END $$$$

External Identifiers

PubChem CID	44607452
ChEMBL	CHEMBL1077081
ZINC

Physicochemical Properties

Molecular Weight:	656.32
ALogP:	1.6468
MLogP:	4.21
XLogP:	3.2
# Rotatable Bonds:	18
Polar Surface Area:	132.89
# H-Bond Aceptor:	11
# H-Bond Donor:	0
# Rings:	6
# Heavy Atoms:	47

Download Data

Data Type	Select
General Info & Identifiers & Properties
Structure MOL file
Source Organisms
Biological Activities
Similar NPs/Drugs