NPASS Natural Product

Natural Product: NPC330009

Natural Product ID:	NPC330009
Common Name:	n.a.
IUPAC Name:
Synonyms:	11-Hydroxycoronaridine
Molecular Formula:	C21H26N2O3
Standard InCHIKey:	GFEUNVMURRUASI-NBEPNCHPSA-N
Standard InCHI:	InChI=1S/C21H26N2O3/c1-3-13-8-12-10-21(20(25)26-2)18-16(6-7-23(11-12)19(13)21)15-5-4-14(24)9-17(15)22-18/h4-5,9,12-13,19,22,24H,3,6-8,10-11H2,1-2H3/t12-,13-,19-,21+/m0/s1
Canonical SMILES:	CC[C@H]1C[C@@H]2CN3[C@@H]1[C@](C2)(C(=O)OC)c1[nH]c2c(c1CC3)ccc(c2)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
NPO32495	tabernaemontana calcarea	Species	Apocynaceae	Eukaryota		Madagascar rainforest		PMID[12713407]

Biological Activity

Activity Type	# Activity
IC50	1

Activity Type	# Activity
Cell Line	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT179	Cell Line	A2780	Homo sapiens	IC50	=	4.8	ug/ml	PubChem BioAssay data set

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 NPC330009 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	276
0.1-0.2	1292
0.2-0.3	6377
0.3-0.4	6914
0.4-0.5	11764
0.5-0.6	2242
0.6-0.7	1472
0.7-0.8	498
0.8-0.85	43
0.85-0.9	9
0.9-0.95	2
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.949	High Similarity	NPC469928
0.9394	High Similarity	NPC473041
0.8995	High Similarity	NPC473105
0.8916	High Similarity	NPC96321
0.8796	High Similarity	NPC329858
0.8679	High Similarity	NPC475720
0.8679	High Similarity	NPC474192
0.8673	High Similarity	NPC306376
0.8601	High Similarity	NPC314333
0.8586	High Similarity	NPC329747
0.8564	High Similarity	NPC475910
0.848	Intermediate Similarity	NPC471304
0.8473	Intermediate Similarity	NPC39679
0.8455	Intermediate Similarity	NPC81939
0.8451	Intermediate Similarity	NPC311906
0.844	Intermediate Similarity	NPC475816
0.8416	Intermediate Similarity	NPC475666
0.8317	Intermediate Similarity	NPC162730
0.8278	Intermediate Similarity	NPC74969
0.8261	Intermediate Similarity	NPC87413
0.8241	Intermediate Similarity	NPC276517
0.8227	Intermediate Similarity	NPC474116
0.819	Intermediate Similarity	NPC148183
0.819	Intermediate Similarity	NPC152768
0.819	Intermediate Similarity	NPC3207
0.8186	Intermediate Similarity	NPC476098
0.8173	Intermediate Similarity	NPC23294
0.8168	Intermediate Similarity	NPC241024
0.8141	Intermediate Similarity	NPC55493
0.814	Intermediate Similarity	NPC21638
0.8135	Intermediate Similarity	NPC72980
0.8125	Intermediate Similarity	NPC303951
0.8112	Intermediate Similarity	NPC94943
0.8102	Intermediate Similarity	NPC24370
0.8102	Intermediate Similarity	NPC319232
0.8098	Intermediate Similarity	NPC134848
0.8089	Intermediate Similarity	NPC469734
0.8068	Intermediate Similarity	NPC4687
0.8066	Intermediate Similarity	NPC305984
0.8065	Intermediate Similarity	NPC304307
0.8065	Intermediate Similarity	NPC261251
0.8065	Intermediate Similarity	NPC118559
0.8065	Intermediate Similarity	NPC124920
0.8065	Intermediate Similarity	NPC34580
0.8061	Intermediate Similarity	NPC190007
0.8048	Intermediate Similarity	NPC475778
0.8036	Intermediate Similarity	NPC473540
0.8029	Intermediate Similarity	NPC86834
0.8029	Intermediate Similarity	NPC210828
0.8028	Intermediate Similarity	NPC303658
0.8028	Intermediate Similarity	NPC100547
0.8018	Intermediate Similarity	NPC214142
0.801	Intermediate Similarity	NPC212535
0.8	Intermediate Similarity	NPC60621
0.7991	Intermediate Similarity	NPC322135
0.7991	Intermediate Similarity	NPC223409
0.7991	Intermediate Similarity	NPC95240
0.7982	Intermediate Similarity	NPC478078
0.7981	Intermediate Similarity	NPC53344
0.798	Intermediate Similarity	NPC70956
0.798	Intermediate Similarity	NPC243834
0.7974	Intermediate Similarity	NPC17437
0.7963	Intermediate Similarity	NPC220851
0.7955	Intermediate Similarity	NPC14288
0.7953	Intermediate Similarity	NPC174760
0.7953	Intermediate Similarity	NPC150239
0.7952	Intermediate Similarity	NPC234999
0.7951	Intermediate Similarity	NPC329793
0.7951	Intermediate Similarity	NPC249040
0.7941	Intermediate Similarity	NPC52557
0.7934	Intermediate Similarity	NPC183407
0.7925	Intermediate Similarity	NPC478074
0.7922	Intermediate Similarity	NPC478080
0.7919	Intermediate Similarity	NPC54803
0.7919	Intermediate Similarity	NPC321592
0.7911	Intermediate Similarity	NPC477066
0.7905	Intermediate Similarity	NPC469743
0.7887	Intermediate Similarity	NPC189812
0.7887	Intermediate Similarity	NPC329688
0.7883	Intermediate Similarity	NPC323752
0.7883	Intermediate Similarity	NPC284888
0.7883	Intermediate Similarity	NPC323198
0.7876	Intermediate Similarity	NPC478081
0.7876	Intermediate Similarity	NPC477067
0.7876	Intermediate Similarity	NPC478082
0.7864	Intermediate Similarity	NPC79129
0.7864	Intermediate Similarity	NPC195461
0.7864	Intermediate Similarity	NPC81654
0.7864	Intermediate Similarity	NPC45459
0.7864	Intermediate Similarity	NPC315491
0.7864	Intermediate Similarity	NPC249150
0.7864	Intermediate Similarity	NPC213308
0.7864	Intermediate Similarity	NPC313985
0.7864	Intermediate Similarity	NPC49196
0.786	Intermediate Similarity	NPC264285
0.786	Intermediate Similarity	NPC247803
0.785	Intermediate Similarity	NPC46580
0.7848	Intermediate Similarity	NPC33064
0.7848	Intermediate Similarity	NPC245055
0.784	Intermediate Similarity	NPC469592
0.784	Intermediate Similarity	NPC471080
0.7814	Intermediate Similarity	NPC169402
0.7811	Intermediate Similarity	NPC175474
0.781	Intermediate Similarity	NPC183777
0.781	Intermediate Similarity	NPC249583
0.7805	Intermediate Similarity	NPC153042
0.7804	Intermediate Similarity	NPC116238
0.7802	Intermediate Similarity	NPC329982
0.7793	Intermediate Similarity	NPC12344
0.7788	Intermediate Similarity	NPC475085
0.7788	Intermediate Similarity	NPC475112
0.7788	Intermediate Similarity	NPC291535
0.7783	Intermediate Similarity	NPC471762
0.7783	Intermediate Similarity	NPC194740
0.7767	Intermediate Similarity	NPC50503
0.7763	Intermediate Similarity	NPC51388
0.7752	Intermediate Similarity	NPC473317
0.7745	Intermediate Similarity	NPC45850
0.7744	Intermediate Similarity	NPC474409
0.7743	Intermediate Similarity	NPC82472
0.7743	Intermediate Similarity	NPC470784
0.7739	Intermediate Similarity	NPC19679
0.7736	Intermediate Similarity	NPC476116
0.7727	Intermediate Similarity	NPC125597
0.7725	Intermediate Similarity	NPC477065
0.7725	Intermediate Similarity	NPC270918
0.7723	Intermediate Similarity	NPC111602
0.7723	Intermediate Similarity	NPC63199
0.7723	Intermediate Similarity	NPC196251
0.7723	Intermediate Similarity	NPC102338
0.7721	Intermediate Similarity	NPC118228
0.771	Intermediate Similarity	NPC264176
0.77	Intermediate Similarity	NPC84478
0.7699	Intermediate Similarity	NPC184680
0.7696	Intermediate Similarity	NPC469594
0.7696	Intermediate Similarity	NPC178858
0.7692	Intermediate Similarity	NPC214428
0.7685	Intermediate Similarity	NPC322064
0.7665	Intermediate Similarity	NPC470785
0.7664	Intermediate Similarity	NPC9894
0.7659	Intermediate Similarity	NPC472210
0.7659	Intermediate Similarity	NPC247735
0.7659	Intermediate Similarity	NPC81802
0.7659	Intermediate Similarity	NPC269886
0.7659	Intermediate Similarity	NPC472295
0.7655	Intermediate Similarity	NPC473187
0.7654	Intermediate Similarity	NPC471303
0.7647	Intermediate Similarity	NPC203628
0.7647	Intermediate Similarity	NPC179287
0.7642	Intermediate Similarity	NPC193777
0.7642	Intermediate Similarity	NPC88008
0.7636	Intermediate Similarity	NPC162748
0.7636	Intermediate Similarity	NPC16352
0.7635	Intermediate Similarity	NPC183805
0.7634	Intermediate Similarity	NPC474701
0.7633	Intermediate Similarity	NPC156704
0.763	Intermediate Similarity	NPC285558
0.763	Intermediate Similarity	NPC475070
0.763	Intermediate Similarity	NPC475847
0.763	Intermediate Similarity	NPC185742
0.7628	Intermediate Similarity	NPC308137
0.7628	Intermediate Similarity	NPC310211
0.7626	Intermediate Similarity	NPC472099
0.7623	Intermediate Similarity	NPC66777
0.761	Intermediate Similarity	NPC99666
0.7598	Intermediate Similarity	NPC472112
0.7596	Intermediate Similarity	NPC72211
0.7594	Intermediate Similarity	NPC277350
0.7594	Intermediate Similarity	NPC300156
0.7594	Intermediate Similarity	NPC476106
0.7592	Intermediate Similarity	NPC195788
0.7592	Intermediate Similarity	NPC237901
0.7591	Intermediate Similarity	NPC198503
0.7588	Intermediate Similarity	NPC88363
0.7588	Intermediate Similarity	NPC219336
0.7583	Intermediate Similarity	NPC223427
0.758	Intermediate Similarity	NPC213530
0.758	Intermediate Similarity	NPC193267
0.7569	Intermediate Similarity	NPC293151
0.7556	Intermediate Similarity	NPC260434
0.755	Intermediate Similarity	NPC469896
0.7546	Intermediate Similarity	NPC472098
0.7545	Intermediate Similarity	NPC33949
0.7538	Intermediate Similarity	NPC183662
0.7538	Intermediate Similarity	NPC217372
0.7538	Intermediate Similarity	NPC96890
0.7538	Intermediate Similarity	NPC15573
0.7537	Intermediate Similarity	NPC160381
0.7536	Intermediate Similarity	NPC474121
0.7535	Intermediate Similarity	NPC11464
0.7534	Intermediate Similarity	NPC184408
0.7524	Intermediate Similarity	NPC472113
0.7524	Intermediate Similarity	NPC312870
0.7524	Intermediate Similarity	NPC294909
0.7524	Intermediate Similarity	NPC199851
0.7524	Intermediate Similarity	NPC128265
0.7524	Intermediate Similarity	NPC254240
0.7523	Intermediate Similarity	NPC122436
0.7513	Intermediate Similarity	NPC6982
0.7512	Intermediate Similarity	NPC475841

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC330009 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	176
0.1-0.2	530
0.2-0.3	877
0.3-0.4	1090
0.4-0.5	2417
0.5-0.6	2835
0.6-0.7	1057
0.7-0.8	176
0.8-0.85	2
0.85-0.9	1
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8601	High Similarity	NPD4499	Approved
0.8204	Intermediate Similarity	NPD2916	Discontinued
0.8079	Intermediate Similarity	NPD4118	Clinical (unspecified phase)
0.7974	Intermediate Similarity	NPD8358	Approved
0.7864	Intermediate Similarity	NPD484	Approved
0.7864	Intermediate Similarity	NPD4601	Approved
0.7864	Intermediate Similarity	NPD4600	Approved
0.7782	Intermediate Similarity	NPD8364	Approved
0.7782	Intermediate Similarity	NPD8363	Approved
0.7778	Intermediate Similarity	NPD8405	Clinical (unspecified phase)
0.7773	Intermediate Similarity	NPD6376	Discontinued
0.7718	Intermediate Similarity	NPD8365	Clinical (unspecified phase)
0.7714	Intermediate Similarity	NPD5901	Discontinued
0.7689	Intermediate Similarity	NPD5658	Approved
0.7681	Intermediate Similarity	NPD4987	Clinical (unspecified phase)
0.7636	Intermediate Similarity	NPD6824	Clinical (unspecified phase)
0.7633	Intermediate Similarity	NPD5003	Discontinued
0.7633	Intermediate Similarity	NPD7948	Phase 1
0.7592	Intermediate Similarity	NPD8467	Approved
0.7592	Intermediate Similarity	NPD8466	Approved
0.7592	Intermediate Similarity	NPD8465	Approved
0.7586	Intermediate Similarity	NPD4948	Discontinued
0.7571	Intermediate Similarity	NPD4511	Phase 1
0.7561	Intermediate Similarity	NPD6630	Clinical (unspecified phase)
0.7558	Intermediate Similarity	NPD5417	Clinical (unspecified phase)
0.7551	Intermediate Similarity	NPD1326	Approved
0.7551	Intermediate Similarity	NPD1325	Approved
0.7534	Intermediate Similarity	NPD7603	Discontinued
0.7534	Intermediate Similarity	NPD5632	Approved
0.7524	Intermediate Similarity	NPD4501	Approved
0.7524	Intermediate Similarity	NPD4500	Approved
0.75	Intermediate Similarity	NPD2844	Phase 3
0.75	Intermediate Similarity	NPD5512	Phase 3
0.7488	Intermediate Similarity	NPD5575	Clinical (unspecified phase)
0.7488	Intermediate Similarity	NPD6344	Clinical (unspecified phase)
0.7478	Intermediate Similarity	NPD8016	Phase 3
0.7478	Intermediate Similarity	NPD8017	Clinical (unspecified phase)
0.7475	Intermediate Similarity	NPD5522	Clinical (unspecified phase)
0.747	Intermediate Similarity	NPD8460	Approved
0.747	Intermediate Similarity	NPD8459	Approved
0.747	Intermediate Similarity	NPD8426	Approved
0.747	Intermediate Similarity	NPD8425	Approved
0.7449	Intermediate Similarity	NPD8428	Approved
0.7449	Intermediate Similarity	NPD8427	Approved
0.7449	Intermediate Similarity	NPD8429	Approved
0.7445	Intermediate Similarity	NPD4885	Approved
0.743	Intermediate Similarity	NPD4862	Clinical (unspecified phase)
0.743	Intermediate Similarity	NPD3003	Approved
0.7419	Intermediate Similarity	NPD7470	Discontinued
0.7393	Intermediate Similarity	NPD3814	Phase 1
0.7375	Intermediate Similarity	NPD7955	Approved
0.7375	Intermediate Similarity	NPD7956	Approved
0.7371	Intermediate Similarity	NPD5721	Clinical (unspecified phase)
0.7352	Intermediate Similarity	NPD3243	Approved
0.735	Intermediate Similarity	NPD5065	Approved
0.7345	Intermediate Similarity	NPD3259	Approved
0.7343	Intermediate Similarity	NPD2564	Approved
0.7343	Intermediate Similarity	NPD2565	Phase 2
0.7336	Intermediate Similarity	NPD6176	Phase 1
0.733	Intermediate Similarity	NPD2383	Phase 1
0.7328	Intermediate Similarity	NPD2921	Clinical (unspecified phase)
0.7321	Intermediate Similarity	NPD6160	Clinical (unspecified phase)
0.7321	Intermediate Similarity	NPD802	Phase 2
0.7315	Intermediate Similarity	NPD7453	Approved
0.7315	Intermediate Similarity	NPD7452	Approved
0.7306	Intermediate Similarity	NPD6657	Clinical (unspecified phase)
0.7304	Intermediate Similarity	NPD5728	Clinical (unspecified phase)
0.7295	Intermediate Similarity	NPD7803	Approved
0.7281	Intermediate Similarity	NPD2509	Approved
0.7281	Intermediate Similarity	NPD2510	Approved
0.7273	Intermediate Similarity	NPD5937	Approved
0.7264	Intermediate Similarity	NPD482	Approved
0.7261	Intermediate Similarity	NPD4373	Phase 2
0.7261	Intermediate Similarity	NPD5040	Clinical (unspecified phase)
0.724	Intermediate Similarity	NPD4897	Phase 2
0.7235	Intermediate Similarity	NPD6838	Clinical (unspecified phase)
0.7235	Intermediate Similarity	NPD5429	Discontinued
0.7235	Intermediate Similarity	NPD7222	Phase 2
0.7232	Intermediate Similarity	NPD6242	Discontinued
0.723	Intermediate Similarity	NPD2175	Phase 3
0.723	Intermediate Similarity	NPD6661	Clinical (unspecified phase)
0.723	Intermediate Similarity	NPD2177	Approved
0.723	Intermediate Similarity	NPD2176	Approved
0.723	Intermediate Similarity	NPD1768	Approved
0.7228	Intermediate Similarity	NPD749	Clinical (unspecified phase)
0.7227	Intermediate Similarity	NPD5482	Discontinued
0.7227	Intermediate Similarity	NPD3330	Phase 1
0.7222	Intermediate Similarity	NPD6790	Phase 1
0.7222	Intermediate Similarity	NPD5426	Phase 3
0.7222	Intermediate Similarity	NPD6323	Clinical (unspecified phase)
0.7222	Intermediate Similarity	NPD7417	Discontinued
0.722	Intermediate Similarity	NPD2092	Phase 2
0.722	Intermediate Similarity	NPD7878	Phase 2
0.722	Intermediate Similarity	NPD2095	Phase 2
0.722	Intermediate Similarity	NPD2094	Phase 2
0.7207	Intermediate Similarity	NPD3394	Approved
0.7207	Intermediate Similarity	NPD3393	Approved
0.7207	Intermediate Similarity	NPD3389	Approved
0.7205	Intermediate Similarity	NPD4952	Phase 3
0.7205	Intermediate Similarity	NPD5801	Clinical (unspecified phase)
0.7204	Intermediate Similarity	NPD4602	Approved
0.7204	Intermediate Similarity	NPD4418	Discontinued
0.7196	Intermediate Similarity	NPD5497	Clinical (unspecified phase)
0.7193	Intermediate Similarity	NPD7268	Clinical (unspecified phase)
0.7189	Intermediate Similarity	NPD3932	Clinical (unspecified phase)
0.7188	Intermediate Similarity	NPD7194	Discontinued
0.7188	Intermediate Similarity	NPD6770	Approved
0.7184	Intermediate Similarity	NPD2091	Phase 2
0.7184	Intermediate Similarity	NPD2096	Phase 2
0.7183	Intermediate Similarity	NPD7777	Approved
0.7183	Intermediate Similarity	NPD7778	Approved
0.7183	Intermediate Similarity	NPD53	Approved
0.7182	Intermediate Similarity	NPD5939	Approved
0.7182	Intermediate Similarity	NPD6567	Clinical (unspecified phase)
0.7182	Intermediate Similarity	NPD5936	Approved
0.7182	Intermediate Similarity	NPD5416	Discontinued
0.7176	Intermediate Similarity	NPD2121	Clinical (unspecified phase)
0.7175	Intermediate Similarity	NPD7823	Clinical (unspecified phase)
0.7174	Intermediate Similarity	NPD6962	Phase 2
0.7163	Intermediate Similarity	NPD6141	Clinical (unspecified phase)
0.7162	Intermediate Similarity	NPD5903	Approved
0.7162	Intermediate Similarity	NPD5902	Approved
0.7162	Intermediate Similarity	NPD8112	Clinical (unspecified phase)
0.7156	Intermediate Similarity	NPD1038	Approved
0.7155	Intermediate Similarity	NPD3986	Discontinued
0.7154	Intermediate Similarity	NPD8489	Phase 1
0.7149	Intermediate Similarity	NPD7069	Discontinued
0.7143	Intermediate Similarity	NPD3946	Clinical (unspecified phase)
0.7136	Intermediate Similarity	NPD5744	Clinical (unspecified phase)
0.7131	Intermediate Similarity	NPD7708	Approved
0.7131	Intermediate Similarity	NPD5483	Clinical (unspecified phase)
0.713	Intermediate Similarity	NPD6803	Clinical (unspecified phase)
0.713	Intermediate Similarity	NPD5612	Discontinued
0.7129	Intermediate Similarity	NPD750	Phase 2
0.7121	Intermediate Similarity	NPD1685	Approved
0.7121	Intermediate Similarity	NPD1684	Approved
0.7118	Intermediate Similarity	NPD6292	Clinical (unspecified phase)
0.7112	Intermediate Similarity	NPD7558	Phase 2
0.7108	Intermediate Similarity	NPD6159	Phase 2
0.7104	Intermediate Similarity	NPD8013	Clinical (unspecified phase)
0.7101	Intermediate Similarity	NPD5488	Discontinued
0.7091	Intermediate Similarity	NPD4506	Discontinued
0.7085	Intermediate Similarity	NPD5293	Phase 2
0.7078	Intermediate Similarity	NPD3930	Clinical (unspecified phase)
0.707	Intermediate Similarity	NPD8396	Approved
0.707	Intermediate Similarity	NPD8395	Approved
0.7067	Intermediate Similarity	NPD6985	Discontinued
0.7067	Intermediate Similarity	NPD7395	Discontinued
0.7064	Intermediate Similarity	NPD6138	Clinical (unspecified phase)
0.7062	Intermediate Similarity	NPD5912	Clinical (unspecified phase)
0.7062	Intermediate Similarity	NPD5913	Phase 3
0.7053	Intermediate Similarity	NPD5596	Phase 2
0.7049	Intermediate Similarity	NPD8091	Phase 3
0.7048	Intermediate Similarity	NPD5507	Approved
0.7048	Intermediate Similarity	NPD5506	Approved
0.7048	Intermediate Similarity	NPD1534	Approved
0.7046	Intermediate Similarity	NPD6517	Phase 3
0.7046	Intermediate Similarity	NPD6716	Phase 1
0.7045	Intermediate Similarity	NPD7947	Clinical (unspecified phase)
0.7043	Intermediate Similarity	NPD7994	Phase 2
0.7042	Intermediate Similarity	NPD6861	Clinical (unspecified phase)
0.7042	Intermediate Similarity	NPD5975	Clinical (unspecified phase)
0.7041	Intermediate Similarity	NPD5257	Clinical (unspecified phase)
0.704	Intermediate Similarity	NPD8094	Discontinued
0.7039	Intermediate Similarity	NPD6452	Discontinued
0.7039	Intermediate Similarity	NPD5473	Discontinued
0.7032	Intermediate Similarity	NPD7958	Clinical (unspecified phase)
0.7032	Intermediate Similarity	NPD7957	Phase 1
0.7027	Intermediate Similarity	NPD4502	Phase 2
0.7026	Intermediate Similarity	NPD2882	Phase 1
0.7023	Intermediate Similarity	NPD4397	Phase 1
0.7023	Intermediate Similarity	NPD7889	Clinical (unspecified phase)
0.7018	Intermediate Similarity	NPD2920	Discontinued
0.7015	Intermediate Similarity	NPD4554	Clinical (unspecified phase)
0.7009	Intermediate Similarity	NPD7818	Clinical (unspecified phase)
0.7005	Intermediate Similarity	NPD4203	Approved
0.7005	Intermediate Similarity	NPD4204	Approved
0.7	Intermediate Similarity	NPD1392	Approved
0.7	Intermediate Similarity	NPD6290	Phase 2
0.6996	Remote Similarity	NPD8093	Discontinued
0.6996	Remote Similarity	NPD7594	Clinical (unspecified phase)
0.6995	Remote Similarity	NPD1304	Clinical (unspecified phase)
0.6991	Remote Similarity	NPD6999	Discontinued
0.6991	Remote Similarity	NPD3354	Phase 2
0.6991	Remote Similarity	NPD7000	Clinical (unspecified phase)
0.6991	Remote Similarity	NPD8109	Clinical (unspecified phase)
0.6986	Remote Similarity	NPD6987	Phase 1
0.6986	Remote Similarity	NPD3947	Discontinued
0.6986	Remote Similarity	NPD6610	Clinical (unspecified phase)
0.6986	Remote Similarity	NPD8098	Approved
0.6983	Remote Similarity	NPD6503	Clinical (unspecified phase)
0.6982	Remote Similarity	NPD648	Clinical (unspecified phase)
0.6982	Remote Similarity	NPD7998	Clinical (unspecified phase)
0.6981	Remote Similarity	NPD5592	Clinical (unspecified phase)
0.698	Remote Similarity	NPD7181	Phase 3
0.6979	Remote Similarity	NPD7853	Phase 2
0.697	Remote Similarity	NPD4845	Discontinued
0.6967	Remote Similarity	NPD4334	Discontinued
0.6964	Remote Similarity	NPD7571	Clinical (unspecified phase)
0.6963	Remote Similarity	NPD7618	Phase 3

Structure

NPC330009 OpenBabel07101718322D 26 30 0 0 1 0 0 0 0 0999 V2000 1.4617 -1.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4928 -4.9990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5635 -1.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5826 -1.1503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7470 -0.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7370 0.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8497 0.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5909 -1.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7470 -2.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3105 -1.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6814 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8196 -1.1280 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1909 -1.3640 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5826 -2.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9113 -1.1503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9937 -0.8521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9113 -2.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -1.6328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1723 -0.9494 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4601 -3.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4626 -1.6760 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9937 -2.4134 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.0000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4183 -2.5977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 -3.3091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9941 -4.1730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 2 26 1 0 0 0 0 4 5 2 0 0 0 0 4 14 1 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 6 16 1 0 0 0 0 7 23 1 0 0 0 0 8 13 1 0 0 0 0 9 14 2 0 0 0 0 9 17 1 0 0 0 0 10 12 1 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 12 8 1 6 0 0 0 13 3 1 1 0 0 0 13 19 1 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 16 18 2 0 0 0 0 17 22 1 0 0 0 0 18 21 1 0 0 0 0 18 22 1 0 0 0 0 19 21 1 1 0 0 0 19 23 1 0 0 0 0 20 25 2 0 0 0 0 20 26 1 0 0 0 0 21 20 1 1 0 0 0 M END $$$$

External Identifiers

PubChem CID	44566751
ChEMBL	CHEMBL517789
ZINC

Physicochemical Properties

Molecular Weight:	354.19
ALogP:	-1.463
MLogP:	3.22
XLogP:	2.767
# Rotatable Bonds:	6
Polar Surface Area:	65.56
# H-Bond Aceptor:	4
# H-Bond Donor:	2
# Rings:	3
# Heavy Atoms:	26

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