NPASS Natural Product

Natural Product: NPC219058

Natural Product ID:	NPC219058
Common Name:	Azadirachtin O
IUPAC Name:
Synonyms:	Azadirachtin O
Molecular Formula:	C35H46O15
Standard InCHIKey:	FZGPSVKDAHZKDU-PZXZPNTDSA-N
Standard InCHI:	InChI=1S/C35H46O15/c1-15(2)10-21(37)48-18-12-19(47-16(3)36)33(28(40)43-7)14-45-22-25(33)32(18)13-46-23(27(39)42-6)24(32)30(4,26(22)38)35-20-11-17(31(35,5)50-35)34(41)8-9-44-29(34)49-20/h8-9,15,17-20,22-26,29,38,41H,10-14H2,1-7H3/t17-,18+,19-,20+,22-,23+,24+,25-,26-,29+,30+,31+,32-,33+,34+,35+/m1/s1
Canonical SMILES:	COC(=O)[C@H]1OC[C@]23[C@@H]1[C@@](C)([C@H](O)[C@H]1[C@H]3[C@@]([C@@H](C[C@@H]2OC(=O)CC(C)C)OC(=O)C)(CO1)C(=O)OC)[C@@]12O[C@@]2(C)[C@H]2C[C@@H]1O[C@H]1[C@]2(O)C=CO1
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
NPO1837	Azadirachta excelsa	Species	Meliaceae	Eukaryota	seed kernels			PMID[16038546]

Biological Activity

Activity Type	# Activity
LD50	4

Activity Type	# Activity
Organism	4

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT849	Organism	Plutella xylostella	Plutella xylostella	LD50	=	0.79	mg/kg	10637057
NPT849	Organism	Plutella xylostella	Plutella xylostella	LD50	=	1.19	mg/kg	10637057
NPT849	Organism	Plutella xylostella	Plutella xylostella	LD50	=	1.92	mg/kg	10637057
NPT849	Organism	Plutella xylostella	Plutella xylostella	LD50	=	3.92	mg/kg	10637057

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 NPC219058 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	214
0.1-0.2	1449
0.2-0.3	3825
0.3-0.4	6548
0.4-0.5	9529
0.5-0.6	5281
0.6-0.7	3106
0.7-0.8	915
0.8-0.85	10
0.85-0.9	1
0.9-0.95	8
0.95-1	3

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC256618
0.9919	High Similarity	NPC475376
0.9756	High Similarity	NPC42206
0.9444	High Similarity	NPC470117
0.9318	High Similarity	NPC194854
0.9318	High Similarity	NPC48813
0.9248	High Similarity	NPC475462
0.9248	High Similarity	NPC16729
0.9098	High Similarity	NPC471172
0.9091	High Similarity	NPC48414
0.9091	High Similarity	NPC5153
0.8881	High Similarity	NPC471171
0.8387	Intermediate Similarity	NPC470115
0.8387	Intermediate Similarity	NPC470116
0.816	Intermediate Similarity	NPC285086
0.8148	Intermediate Similarity	NPC471234
0.8077	Intermediate Similarity	NPC65858
0.8065	Intermediate Similarity	NPC86217
0.803	Intermediate Similarity	NPC273962
0.8015	Intermediate Similarity	NPC43252
0.8015	Intermediate Similarity	NPC135038
0.8015	Intermediate Similarity	NPC267822
0.7984	Intermediate Similarity	NPC305939
0.7955	Intermediate Similarity	NPC169818
0.7941	Intermediate Similarity	NPC88668
0.7926	Intermediate Similarity	NPC473838
0.7926	Intermediate Similarity	NPC475389
0.792	Intermediate Similarity	NPC130302
0.792	Intermediate Similarity	NPC98633
0.7891	Intermediate Similarity	NPC475490
0.7874	Intermediate Similarity	NPC102619
0.7852	Intermediate Similarity	NPC470880
0.782	Intermediate Similarity	NPC475194
0.7786	Intermediate Similarity	NPC317635
0.7786	Intermediate Similarity	NPC471406
0.7786	Intermediate Similarity	NPC142882
0.7786	Intermediate Similarity	NPC329008
0.7778	Intermediate Similarity	NPC255655
0.7778	Intermediate Similarity	NPC168899
0.7778	Intermediate Similarity	NPC476078
0.7778	Intermediate Similarity	NPC476091
0.7778	Intermediate Similarity	NPC69273
0.7778	Intermediate Similarity	NPC293623
0.777	Intermediate Similarity	NPC477236
0.7761	Intermediate Similarity	NPC47113
0.7761	Intermediate Similarity	NPC174367
0.7742	Intermediate Similarity	NPC291414
0.7737	Intermediate Similarity	NPC473805
0.7737	Intermediate Similarity	NPC471855
0.7737	Intermediate Similarity	NPC473519
0.7721	Intermediate Similarity	NPC309096
0.7721	Intermediate Similarity	NPC54614
0.7717	Intermediate Similarity	NPC272242
0.7717	Intermediate Similarity	NPC56025
0.7717	Intermediate Similarity	NPC471251
0.7717	Intermediate Similarity	NPC473062
0.7704	Intermediate Similarity	NPC2757
0.7704	Intermediate Similarity	NPC473265
0.7704	Intermediate Similarity	NPC473253
0.7704	Intermediate Similarity	NPC117702
0.7704	Intermediate Similarity	NPC305496
0.7704	Intermediate Similarity	NPC470882
0.7704	Intermediate Similarity	NPC469757
0.7704	Intermediate Similarity	NPC471357
0.7704	Intermediate Similarity	NPC146456
0.7692	Intermediate Similarity	NPC179429
0.7687	Intermediate Similarity	NPC473255
0.7681	Intermediate Similarity	NPC475487
0.7681	Intermediate Similarity	NPC102015
0.7674	Intermediate Similarity	NPC79193
0.7664	Intermediate Similarity	NPC241008
0.7647	Intermediate Similarity	NPC475636
0.7647	Intermediate Similarity	NPC295220
0.7647	Intermediate Similarity	NPC311534
0.7647	Intermediate Similarity	NPC473620
0.7643	Intermediate Similarity	NPC251998
0.7638	Intermediate Similarity	NPC106760
0.7638	Intermediate Similarity	NPC124053
0.763	Intermediate Similarity	NPC93368
0.7626	Intermediate Similarity	NPC477234
0.7615	Intermediate Similarity	NPC88945
0.7612	Intermediate Similarity	NPC227397
0.76	Intermediate Similarity	NPC166079
0.76	Intermediate Similarity	NPC285927
0.76	Intermediate Similarity	NPC306776
0.7597	Intermediate Similarity	NPC97002
0.7594	Intermediate Similarity	NPC470478
0.7591	Intermediate Similarity	NPC471360
0.7591	Intermediate Similarity	NPC9499
0.7591	Intermediate Similarity	NPC17896
0.7591	Intermediate Similarity	NPC89514
0.7591	Intermediate Similarity	NPC469751
0.7591	Intermediate Similarity	NPC469752
0.7591	Intermediate Similarity	NPC471407
0.7591	Intermediate Similarity	NPC70542
0.7591	Intermediate Similarity	NPC180079
0.7591	Intermediate Similarity	NPC284406
0.7591	Intermediate Similarity	NPC471358
0.7591	Intermediate Similarity	NPC471352
0.7591	Intermediate Similarity	NPC469755
0.7591	Intermediate Similarity	NPC471361
0.7591	Intermediate Similarity	NPC476851
0.7591	Intermediate Similarity	NPC471359
0.7591	Intermediate Similarity	NPC469753
0.7591	Intermediate Similarity	NPC10823
0.7591	Intermediate Similarity	NPC251866
0.7591	Intermediate Similarity	NPC197707
0.7591	Intermediate Similarity	NPC86159
0.7591	Intermediate Similarity	NPC6108
0.7591	Intermediate Similarity	NPC469754
0.7591	Intermediate Similarity	NPC470851
0.7591	Intermediate Similarity	NPC219085
0.7589	Intermediate Similarity	NPC295885
0.7589	Intermediate Similarity	NPC140045
0.7589	Intermediate Similarity	NPC596
0.7578	Intermediate Similarity	NPC157476
0.7576	Intermediate Similarity	NPC477071
0.7574	Intermediate Similarity	NPC42399
0.7574	Intermediate Similarity	NPC152091
0.7574	Intermediate Similarity	NPC470780
0.7571	Intermediate Similarity	NPC171619
0.7571	Intermediate Similarity	NPC262813
0.7559	Intermediate Similarity	NPC471250
0.7557	Intermediate Similarity	NPC473304
0.7557	Intermediate Similarity	NPC470171
0.7556	Intermediate Similarity	NPC130229
0.7554	Intermediate Similarity	NPC32793
0.7554	Intermediate Similarity	NPC116075
0.7554	Intermediate Similarity	NPC469749
0.7554	Intermediate Similarity	NPC157817
0.7554	Intermediate Similarity	NPC298783
0.7554	Intermediate Similarity	NPC104585
0.7554	Intermediate Similarity	NPC146857
0.7554	Intermediate Similarity	NPC142756
0.7554	Intermediate Similarity	NPC247190
0.7554	Intermediate Similarity	NPC225385
0.7537	Intermediate Similarity	NPC222688
0.7537	Intermediate Similarity	NPC28532
0.7536	Intermediate Similarity	NPC476852
0.7536	Intermediate Similarity	NPC213634
0.7536	Intermediate Similarity	NPC173347
0.7535	Intermediate Similarity	NPC75616
0.7535	Intermediate Similarity	NPC79250
0.7535	Intermediate Similarity	NPC477233
0.7535	Intermediate Similarity	NPC290746
0.7535	Intermediate Similarity	NPC477232
0.752	Intermediate Similarity	NPC100078
0.752	Intermediate Similarity	NPC88469
0.7519	Intermediate Similarity	NPC243572
0.7519	Intermediate Similarity	NPC241192
0.7519	Intermediate Similarity	NPC477489
0.7518	Intermediate Similarity	NPC141215
0.7518	Intermediate Similarity	NPC470850
0.7518	Intermediate Similarity	NPC190065
0.7518	Intermediate Similarity	NPC59288
0.7518	Intermediate Similarity	NPC471089
0.7518	Intermediate Similarity	NPC188291
0.7518	Intermediate Similarity	NPC473888
0.75	Intermediate Similarity	NPC478069
0.75	Intermediate Similarity	NPC478072
0.75	Intermediate Similarity	NPC470776
0.75	Intermediate Similarity	NPC329636
0.75	Intermediate Similarity	NPC87662
0.75	Intermediate Similarity	NPC104427
0.7482	Intermediate Similarity	NPC33378
0.7482	Intermediate Similarity	NPC254146
0.7482	Intermediate Similarity	NPC231240
0.7482	Intermediate Similarity	NPC19124
0.7482	Intermediate Similarity	NPC42670
0.7482	Intermediate Similarity	NPC180902
0.7482	Intermediate Similarity	NPC254614
0.7482	Intermediate Similarity	NPC100390
0.7482	Intermediate Similarity	NPC6274
0.7482	Intermediate Similarity	NPC472769
0.7482	Intermediate Similarity	NPC93416
0.7482	Intermediate Similarity	NPC475139
0.7481	Intermediate Similarity	NPC470628
0.7481	Intermediate Similarity	NPC474046
0.7481	Intermediate Similarity	NPC141196
0.7481	Intermediate Similarity	NPC27363
0.7481	Intermediate Similarity	NPC478066
0.7481	Intermediate Similarity	NPC474734
0.7481	Intermediate Similarity	NPC1980
0.7481	Intermediate Similarity	NPC259306
0.7481	Intermediate Similarity	NPC41129
0.7481	Intermediate Similarity	NPC238005
0.748	Intermediate Similarity	NPC208461
0.748	Intermediate Similarity	NPC289702
0.748	Intermediate Similarity	NPC224414
0.7464	Intermediate Similarity	NPC473593
0.7463	Intermediate Similarity	NPC102822
0.7463	Intermediate Similarity	NPC275675
0.7463	Intermediate Similarity	NPC75417
0.7463	Intermediate Similarity	NPC477046
0.7462	Intermediate Similarity	NPC132668
0.7447	Intermediate Similarity	NPC194716
0.7445	Intermediate Similarity	NPC240070
0.7445	Intermediate Similarity	NPC329784
0.7445	Intermediate Similarity	NPC287423
0.7445	Intermediate Similarity	NPC298841

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC219058 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	211
0.1-0.2	2229
0.2-0.3	3921
0.3-0.4	1826
0.4-0.5	558
0.5-0.6	295
0.6-0.7	98
0.7-0.8	23
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
0.7778	Intermediate Similarity	NPD7736	Approved
0.7704	Intermediate Similarity	NPD8293	Discontinued
0.7669	Intermediate Similarity	NPD6370	Approved
0.7591	Intermediate Similarity	NPD7319	Approved
0.7574	Intermediate Similarity	NPD7078	Approved
0.7556	Intermediate Similarity	NPD7492	Approved
0.7519	Intermediate Similarity	NPD6054	Approved
0.75	Intermediate Similarity	NPD6616	Approved
0.748	Intermediate Similarity	NPD5345	Clinical (unspecified phase)
0.7419	Intermediate Similarity	NPD1700	Approved
0.7388	Intermediate Similarity	NPD6059	Approved
0.7372	Intermediate Similarity	NPD7507	Approved
0.7333	Intermediate Similarity	NPD6016	Approved
0.7333	Intermediate Similarity	NPD6015	Approved
0.7293	Intermediate Similarity	NPD8295	Clinical (unspecified phase)
0.7279	Intermediate Similarity	NPD5988	Approved
0.7259	Intermediate Similarity	NPD6319	Approved
0.7109	Intermediate Similarity	NPD4057	Clinical (unspecified phase)
0.7109	Intermediate Similarity	NPD4056	Clinical (unspecified phase)
0.7101	Intermediate Similarity	NPD8328	Phase 3
0.708	Intermediate Similarity	NPD8033	Approved
0.7068	Intermediate Similarity	NPD8133	Approved
0.7059	Intermediate Similarity	NPD7516	Approved
0.6992	Remote Similarity	NPD6882	Approved
0.6992	Remote Similarity	NPD8297	Approved
0.6985	Remote Similarity	NPD7327	Approved
0.6985	Remote Similarity	NPD7328	Approved
0.6977	Remote Similarity	NPD8170	Clinical (unspecified phase)
0.6957	Remote Similarity	NPD6921	Approved
0.6957	Remote Similarity	NPD8379	Approved
0.6957	Remote Similarity	NPD8296	Approved
0.6957	Remote Similarity	NPD8335	Approved
0.6957	Remote Similarity	NPD8378	Approved
0.6957	Remote Similarity	NPD8380	Approved
0.6912	Remote Similarity	NPD6009	Approved
0.6901	Remote Similarity	NPD6033	Approved
0.6884	Remote Similarity	NPD8294	Approved
0.6884	Remote Similarity	NPD8377	Approved
0.6835	Remote Similarity	NPD8513	Phase 3
0.6835	Remote Similarity	NPD8517	Approved
0.6835	Remote Similarity	NPD8515	Approved
0.6835	Remote Similarity	NPD8516	Approved
0.6791	Remote Similarity	NPD6650	Approved
0.6791	Remote Similarity	NPD6649	Approved
0.6767	Remote Similarity	NPD6373	Approved
0.6767	Remote Similarity	NPD8132	Clinical (unspecified phase)
0.6767	Remote Similarity	NPD6372	Approved
0.6714	Remote Similarity	NPD7503	Approved
0.6692	Remote Similarity	NPD7320	Approved
0.6692	Remote Similarity	NPD6899	Approved
0.6692	Remote Similarity	NPD6881	Approved
0.6691	Remote Similarity	NPD4632	Approved
0.6667	Remote Similarity	NPD6008	Approved
0.6667	Remote Similarity	NPD7115	Discovery
0.6667	Remote Similarity	NPD8130	Phase 1
0.6667	Remote Similarity	NPD7128	Approved
0.6667	Remote Similarity	NPD5739	Approved
0.6667	Remote Similarity	NPD6675	Approved
0.6667	Remote Similarity	NPD6402	Approved
0.662	Remote Similarity	NPD7604	Phase 2
0.6617	Remote Similarity	NPD5697	Approved
0.6617	Remote Similarity	NPD6412	Phase 2
0.6593	Remote Similarity	NPD7290	Approved
0.6593	Remote Similarity	NPD4634	Approved
0.6593	Remote Similarity	NPD6883	Approved
0.6593	Remote Similarity	NPD7102	Approved
0.6567	Remote Similarity	NPD6686	Approved
0.6544	Remote Similarity	NPD6847	Approved
0.6544	Remote Similarity	NPD6617	Approved
0.6544	Remote Similarity	NPD6869	Approved
0.6519	Remote Similarity	NPD6014	Approved
0.6519	Remote Similarity	NPD6013	Approved
0.6519	Remote Similarity	NPD6012	Approved
0.6493	Remote Similarity	NPD5701	Approved
0.6479	Remote Similarity	NPD5983	Phase 2
0.6444	Remote Similarity	NPD6011	Approved
0.6414	Remote Similarity	NPD6336	Discontinued
0.6397	Remote Similarity	NPD4061	Clinical (unspecified phase)
0.637	Remote Similarity	NPD8074	Phase 3
0.6351	Remote Similarity	NPD5956	Approved
0.635	Remote Similarity	NPD5955	Clinical (unspecified phase)
0.6328	Remote Similarity	NPD8171	Discontinued
0.6316	Remote Similarity	NPD5211	Phase 2
0.6304	Remote Similarity	NPD8413	Clinical (unspecified phase)
0.6304	Remote Similarity	NPD6401	Clinical (unspecified phase)
0.6279	Remote Similarity	NPD7799	Discontinued
0.6276	Remote Similarity	NPD6067	Discontinued
0.6259	Remote Similarity	NPD6053	Discontinued
0.6224	Remote Similarity	NPD7101	Approved
0.6224	Remote Similarity	NPD7100	Approved
0.6222	Remote Similarity	NPD5141	Approved
0.6165	Remote Similarity	NPD5285	Approved
0.6165	Remote Similarity	NPD5286	Approved
0.6165	Remote Similarity	NPD4696	Approved
0.6154	Remote Similarity	NPD6335	Approved
0.6138	Remote Similarity	NPD8274	Clinical (unspecified phase)
0.6138	Remote Similarity	NPD6291	Clinical (unspecified phase)
0.6136	Remote Similarity	NPD6084	Phase 2
0.6136	Remote Similarity	NPD4755	Approved
0.6136	Remote Similarity	NPD6083	Phase 2
0.6131	Remote Similarity	NPD5954	Clinical (unspecified phase)
0.6131	Remote Similarity	NPD7899	Clinical (unspecified phase)
0.6127	Remote Similarity	NPD6274	Approved
0.6124	Remote Similarity	NPD8035	Phase 2
0.6124	Remote Similarity	NPD8034	Phase 2
0.6096	Remote Similarity	NPD8080	Discontinued
0.6084	Remote Similarity	NPD6317	Approved
0.6074	Remote Similarity	NPD4633	Approved
0.6074	Remote Similarity	NPD5225	Approved
0.6074	Remote Similarity	NPD5224	Approved
0.6074	Remote Similarity	NPD5226	Approved
0.6045	Remote Similarity	NPD4700	Approved
0.6045	Remote Similarity	NPD7639	Approved
0.6045	Remote Similarity	NPD7640	Approved
0.6042	Remote Similarity	NPD6313	Approved
0.6042	Remote Similarity	NPD6314	Approved
0.6029	Remote Similarity	NPD5174	Approved
0.6029	Remote Similarity	NPD5175	Approved
0.6027	Remote Similarity	NPD6908	Approved
0.6027	Remote Similarity	NPD6909	Approved
0.6	Remote Similarity	NPD5223	Approved
0.5972	Remote Similarity	NPD8137	Clinical (unspecified phase)
0.5971	Remote Similarity	NPD4730	Approved
0.5971	Remote Similarity	NPD4729	Approved
0.597	Remote Similarity	NPD5696	Approved
0.597	Remote Similarity	NPD7638	Approved
0.597	Remote Similarity	NPD4225	Approved
0.5962	Remote Similarity	NPD6333	Approved
0.5962	Remote Similarity	NPD6334	Approved
0.5954	Remote Similarity	NPD6399	Phase 3
0.5948	Remote Similarity	NPD8338	Approved
0.5942	Remote Similarity	NPD4768	Approved
0.5942	Remote Similarity	NPD4767	Approved
0.5938	Remote Similarity	NPD4250	Approved
0.5938	Remote Similarity	NPD4251	Approved
0.5909	Remote Similarity	NPD5282	Discontinued
0.5906	Remote Similarity	NPD8341	Approved
0.5906	Remote Similarity	NPD8340	Approved
0.5906	Remote Similarity	NPD8342	Approved
0.5906	Remote Similarity	NPD8299	Approved
0.5887	Remote Similarity	NPD6371	Approved
0.5887	Remote Similarity	NPD5250	Approved
0.5887	Remote Similarity	NPD5249	Phase 3
0.5887	Remote Similarity	NPD5248	Approved
0.5887	Remote Similarity	NPD5247	Approved
0.5887	Remote Similarity	NPD5251	Approved
0.5878	Remote Similarity	NPD7983	Approved
0.5878	Remote Similarity	NPD7637	Suspended
0.5865	Remote Similarity	NPD6356	Clinical (unspecified phase)
0.5865	Remote Similarity	NPD5695	Phase 3
0.5864	Remote Similarity	NPD7625	Phase 1
0.5859	Remote Similarity	NPD4249	Approved
0.5811	Remote Similarity	NPD8266	Approved
0.5811	Remote Similarity	NPD8267	Approved
0.5811	Remote Similarity	NPD8268	Approved
0.5811	Remote Similarity	NPD8269	Approved
0.5797	Remote Similarity	NPD4754	Approved
0.5796	Remote Similarity	NPD7966	Clinical (unspecified phase)
0.5793	Remote Similarity	NPD6940	Discontinued
0.5793	Remote Similarity	NPD6868	Approved
0.5781	Remote Similarity	NPD7520	Clinical (unspecified phase)
0.5779	Remote Similarity	NPD7260	Phase 2
0.5766	Remote Similarity	NPD5344	Discontinued
0.5762	Remote Similarity	NPD8451	Approved
0.576	Remote Similarity	NPD6928	Phase 2
0.5758	Remote Similarity	NPD6411	Approved
0.5745	Remote Similarity	NPD5128	Approved
0.5742	Remote Similarity	NPD6845	Suspended
0.5734	Remote Similarity	NPD5217	Approved
0.5734	Remote Similarity	NPD5215	Approved
0.5734	Remote Similarity	NPD5216	Approved
0.5733	Remote Similarity	NPD7642	Approved
0.5733	Remote Similarity	NPD7830	Approved
0.5733	Remote Similarity	NPD7829	Approved
0.5726	Remote Similarity	NPD6114	Approved
0.5726	Remote Similarity	NPD6115	Approved
0.5726	Remote Similarity	NPD6697	Approved
0.5726	Remote Similarity	NPD6118	Approved
0.5725	Remote Similarity	NPD7632	Discontinued
0.5724	Remote Similarity	NPD8448	Approved
0.5714	Remote Similarity	NPD8392	Approved
0.5714	Remote Similarity	NPD5779	Approved
0.5714	Remote Similarity	NPD5778	Approved
0.5714	Remote Similarity	NPD8391	Approved
0.5714	Remote Similarity	NPD8390	Approved
0.5704	Remote Similarity	NPD5220	Clinical (unspecified phase)
0.5704	Remote Similarity	NPD5222	Approved
0.5704	Remote Similarity	NPD4697	Phase 3
0.5704	Remote Similarity	NPD5221	Approved
0.5692	Remote Similarity	NPD7524	Approved
0.5691	Remote Similarity	NPD7685	Pre-registration
0.5686	Remote Similarity	NPD8337	Approved
0.5686	Remote Similarity	NPD8336	Approved
0.5676	Remote Similarity	NPD4522	Approved
0.5664	Remote Similarity	NPD5134	Clinical (unspecified phase)
0.5664	Remote Similarity	NPD5169	Approved
0.5664	Remote Similarity	NPD5135	Approved
0.5662	Remote Similarity	NPD5173	Approved
0.5652	Remote Similarity	NPD8055	Clinical (unspecified phase)
0.5645	Remote Similarity	NPD6116	Phase 1

Structure

NPC219058 OpenBabel07101718192D 50 57 0 0 1 0 0 0 0 0999 V2000 3.6637 -3.8426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1294 -4.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3422 -2.6301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1769 2.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5331 0.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7116 -0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6119 -1.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1695 0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6846 -0.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5512 -2.7133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7197 2.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7912 -1.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6598 -1.1326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0512 0.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7814 -3.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1546 -2.2085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2435 1.3296 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0906 -0.9416 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4243 -0.8014 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1560 1.8138 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6689 -2.4698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6427 1.1356 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3772 -0.3921 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0574 0.2203 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6427 0.2203 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8501 1.5932 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2039 0.3691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0305 -1.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2402 0.6942 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0574 1.1356 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6916 0.5995 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8501 -0.2373 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5132 -0.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8949 0.7703 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1733 0.8987 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9259 -2.7012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0168 -3.1121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8501 2.5085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4867 1.2396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9663 -1.9996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3721 2.5376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8163 -0.3111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8532 -0.6856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1103 0.0481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5132 1.4184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7495 -1.2283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1957 -1.2942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4386 -1.5839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2275 1.1586 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 15 1 0 0 0 0 2 15 1 0 0 0 0 3 16 1 0 0 0 0 5 31 1 0 0 0 0 6 42 1 0 0 0 0 7 43 1 0 0 0 0 8 9 2 0 0 0 0 8 34 1 0 0 0 0 9 44 1 0 0 0 0 10 15 1 0 0 0 0 10 21 1 0 0 0 0 11 17 1 0 0 0 0 11 20 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 13 46 1 0 0 0 0 14 33 1 0 0 0 0 14 45 1 0 0 0 0 16 36 2 0 0 0 0 16 47 1 0 0 0 0 17 31 1 1 0 0 0 17 34 1 0 0 0 0 18 32 1 6 0 0 0 18 48 1 0 0 0 0 19 33 1 6 0 0 0 19 47 1 0 0 0 0 20 35 1 1 0 0 0 20 49 1 0 0 0 0 21 37 2 0 0 0 0 21 48 1 0 0 0 0 22 25 1 0 0 0 0 22 26 1 0 0 0 0 22 45 1 6 0 0 0 23 24 1 0 0 0 0 23 27 1 6 0 0 0 23 46 1 0 0 0 0 24 30 1 1 0 0 0 24 32 1 0 0 0 0 25 32 1 1 0 0 0 25 33 1 0 0 0 0 26 30 1 6 0 0 0 26 38 1 0 0 0 0 27 39 2 0 0 0 0 27 42 1 0 0 0 0 28 40 2 0 0 0 0 28 43 1 0 0 0 0 29 34 1 6 0 0 0 29 44 1 0 0 0 0 29 49 1 0 0 0 0 30 4 1 1 0 0 0 30 35 1 0 0 0 0 31 35 1 6 0 0 0 31 50 1 0 0 0 0 32 13 1 1 0 0 0 33 28 1 1 0 0 0 34 41 1 1 0 0 0 35 50 1 1 0 0 0 M END $$$$

External Identifiers

PubChem CID	11170007
ChEMBL	CHEMBL526884
ZINC

Physicochemical Properties

Molecular Weight:	706.28
ALogP:	-3.0231
MLogP:	3.66
XLogP:	0.535
# Rotatable Bonds:	20
Polar Surface Area:	195.11
# H-Bond Aceptor:	15
# H-Bond Donor:	2
# Rings:	8
# Heavy Atoms:	50

Download Data

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