NPASS Natural Product

Natural Product: NPC475910

Natural Product ID:	NPC475910
Common Name:	n.a.
IUPAC Name:
Synonyms:	3R/S-Hydroxytabernanthine
Molecular Formula:	C20H26N2O2
Standard InCHIKey:	ILKRBNJXPMXUQC-RTNDPOLBSA-N
Standard InCHI:	InChI=1S/C20H26N2O2/c1-3-11-8-12-9-16-18-15(6-7-22(19(11)16)20(12)23)14-5-4-13(24-2)10-17(14)21-18/h4-5,10-12,16,19-21,23H,3,6-9H2,1-2H3/t11-,12-,16-,19-,20?/m0/s1
Canonical SMILES:	CC[C@H]1C[C@H]2C[C@@H]3[C@H]1N(C2O)CCc1c3[nH]c2c1ccc(c2)OC
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	=	7.9	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 NPC475910 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	329
0.1-0.2	1698
0.2-0.3	10098
0.3-0.4	4143
0.4-0.5	10448
0.5-0.6	2305
0.6-0.7	1326
0.7-0.8	467
0.8-0.85	61
0.85-0.9	10
0.9-0.95	3
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.9514	High Similarity	NPC329747
0.9101	High Similarity	NPC329793
0.9031	High Similarity	NPC469592
0.9031	High Similarity	NPC471080
0.8932	High Similarity	NPC473105
0.885	High Similarity	NPC469594
0.885	High Similarity	NPC473041
0.8744	High Similarity	NPC478074
0.8656	High Similarity	NPC84478
0.8646	High Similarity	NPC243834
0.8646	High Similarity	NPC70956
0.8593	High Similarity	NPC471304
0.8564	High Similarity	NPC330009
0.8543	High Similarity	NPC469589
0.8485	Intermediate Similarity	NPC476106
0.8434	Intermediate Similarity	NPC285558
0.8431	Intermediate Similarity	NPC305984
0.8426	Intermediate Similarity	NPC475085
0.8426	Intermediate Similarity	NPC475112
0.8426	Intermediate Similarity	NPC291535
0.8418	Intermediate Similarity	NPC249040
0.841	Intermediate Similarity	NPC72211
0.839	Intermediate Similarity	NPC96321
0.8382	Intermediate Similarity	NPC152768
0.8382	Intermediate Similarity	NPC148183
0.835	Intermediate Similarity	NPC213530
0.835	Intermediate Similarity	NPC193267
0.8349	Intermediate Similarity	NPC474192
0.8349	Intermediate Similarity	NPC475720
0.8325	Intermediate Similarity	NPC21638
0.8317	Intermediate Similarity	NPC167860
0.8317	Intermediate Similarity	NPC123976
0.8308	Intermediate Similarity	NPC70259
0.83	Intermediate Similarity	NPC472111
0.8283	Intermediate Similarity	NPC232727
0.828	Intermediate Similarity	NPC189812
0.828	Intermediate Similarity	NPC329688
0.8259	Intermediate Similarity	NPC193777
0.8256	Intermediate Similarity	NPC43787
0.8256	Intermediate Similarity	NPC131017
0.8256	Intermediate Similarity	NPC205934
0.8245	Intermediate Similarity	NPC72980
0.823	Intermediate Similarity	NPC280272
0.8213	Intermediate Similarity	NPC303658
0.8208	Intermediate Similarity	NPC311906
0.82	Intermediate Similarity	NPC162484
0.82	Intermediate Similarity	NPC223427
0.8191	Intermediate Similarity	NPC267423
0.8191	Intermediate Similarity	NPC476044
0.816	Intermediate Similarity	NPC478078
0.8157	Intermediate Similarity	NPC470784
0.8146	Intermediate Similarity	NPC264176
0.8137	Intermediate Similarity	NPC11464
0.8136	Intermediate Similarity	NPC81939
0.8125	Intermediate Similarity	NPC94943
0.8122	Intermediate Similarity	NPC251090
0.8119	Intermediate Similarity	NPC475816
0.8116	Intermediate Similarity	NPC469928
0.8116	Intermediate Similarity	NPC183407
0.8115	Intermediate Similarity	NPC176127
0.8111	Intermediate Similarity	NPC184680
0.81	Intermediate Similarity	NPC475666
0.8075	Intermediate Similarity	NPC473185
0.8073	Intermediate Similarity	NPC190007
0.8073	Intermediate Similarity	NPC470785
0.806	Intermediate Similarity	NPC199277
0.806	Intermediate Similarity	NPC135887
0.8058	Intermediate Similarity	NPC48353
0.8039	Intermediate Similarity	NPC470931
0.8029	Intermediate Similarity	NPC170114
0.8021	Intermediate Similarity	NPC212535
0.802	Intermediate Similarity	NPC307963
0.8009	Intermediate Similarity	NPC310118
0.8	Intermediate Similarity	NPC128823
0.8	Intermediate Similarity	NPC473179
0.7991	Intermediate Similarity	NPC110151
0.7981	Intermediate Similarity	NPC470549
0.7971	Intermediate Similarity	NPC316981
0.7968	Intermediate Similarity	NPC317430
0.7962	Intermediate Similarity	NPC132642
0.7949	Intermediate Similarity	NPC46580
0.794	Intermediate Similarity	NPC13880
0.7937	Intermediate Similarity	NPC472123
0.7927	Intermediate Similarity	NPC19679
0.7927	Intermediate Similarity	NPC139291
0.7927	Intermediate Similarity	NPC472108
0.7925	Intermediate Similarity	NPC477532
0.7925	Intermediate Similarity	NPC60621
0.7923	Intermediate Similarity	NPC87413
0.7919	Intermediate Similarity	NPC92111
0.7913	Intermediate Similarity	NPC476116
0.7913	Intermediate Similarity	NPC201697
0.7902	Intermediate Similarity	NPC249583
0.7887	Intermediate Similarity	NPC62069
0.7877	Intermediate Similarity	NPC477533
0.7877	Intermediate Similarity	NPC150239
0.7871	Intermediate Similarity	NPC11017
0.787	Intermediate Similarity	NPC194740
0.7868	Intermediate Similarity	NPC76748
0.7854	Intermediate Similarity	NPC475841
0.7854	Intermediate Similarity	NPC474145
0.7851	Intermediate Similarity	NPC478080
0.7838	Intermediate Similarity	NPC477066
0.7837	Intermediate Similarity	NPC208284
0.7826	Intermediate Similarity	NPC209769
0.7818	Intermediate Similarity	NPC295228
0.7817	Intermediate Similarity	NPC296527
0.7816	Intermediate Similarity	NPC4687
0.7811	Intermediate Similarity	NPC153042
0.7805	Intermediate Similarity	NPC470930
0.7803	Intermediate Similarity	NPC478081
0.7803	Intermediate Similarity	NPC477067
0.7803	Intermediate Similarity	NPC478082
0.7799	Intermediate Similarity	NPC94157
0.7794	Intermediate Similarity	NPC295898
0.7793	Intermediate Similarity	NPC472099
0.7788	Intermediate Similarity	NPC471762
0.7783	Intermediate Similarity	NPC473183
0.7783	Intermediate Similarity	NPC247803
0.7783	Intermediate Similarity	NPC176538
0.7773	Intermediate Similarity	NPC473184
0.7772	Intermediate Similarity	NPC306376
0.7762	Intermediate Similarity	NPC266931
0.7749	Intermediate Similarity	NPC474409
0.7727	Intermediate Similarity	NPC242928
0.772	Intermediate Similarity	NPC283152
0.7718	Intermediate Similarity	NPC274291
0.7718	Intermediate Similarity	NPC329708
0.7718	Intermediate Similarity	NPC264166
0.7718	Intermediate Similarity	NPC118832
0.7718	Intermediate Similarity	NPC47059
0.7718	Intermediate Similarity	NPC165349
0.7717	Intermediate Similarity	NPC26872
0.7717	Intermediate Similarity	NPC475253
0.7714	Intermediate Similarity	NPC310211
0.7714	Intermediate Similarity	NPC308137
0.7714	Intermediate Similarity	NPC472098
0.7706	Intermediate Similarity	NPC314954
0.7706	Intermediate Similarity	NPC252251
0.7696	Intermediate Similarity	NPC121772
0.7692	Intermediate Similarity	NPC39679
0.7688	Intermediate Similarity	NPC95783
0.7688	Intermediate Similarity	NPC26850
0.7674	Intermediate Similarity	NPC198503
0.7665	Intermediate Similarity	NPC17437
0.766	Intermediate Similarity	NPC177404
0.7656	Intermediate Similarity	NPC174758
0.7653	Intermediate Similarity	NPC472110
0.7653	Intermediate Similarity	NPC472109
0.7644	Intermediate Similarity	NPC473540
0.7639	Intermediate Similarity	NPC162748
0.7636	Intermediate Similarity	NPC477531
0.7633	Intermediate Similarity	NPC475070
0.7629	Intermediate Similarity	NPC96890
0.7628	Intermediate Similarity	NPC174760
0.7626	Intermediate Similarity	NPC66777
0.7619	Intermediate Similarity	NPC199667
0.7612	Intermediate Similarity	NPC99666
0.761	Intermediate Similarity	NPC315957
0.761	Intermediate Similarity	NPC19872
0.7604	Intermediate Similarity	NPC122436
0.76	Intermediate Similarity	NPC469501
0.76	Intermediate Similarity	NPC329858
0.76	Intermediate Similarity	NPC469470
0.7591	Intermediate Similarity	NPC209174
0.759	Intermediate Similarity	NPC232340
0.759	Intermediate Similarity	NPC88363
0.7589	Intermediate Similarity	NPC474183
0.7578	Intermediate Similarity	NPC473187
0.7574	Intermediate Similarity	NPC279401
0.7574	Intermediate Similarity	NPC79293
0.7574	Intermediate Similarity	NPC106937
0.7571	Intermediate Similarity	NPC473181
0.757	Intermediate Similarity	NPC169402
0.7569	Intermediate Similarity	NPC179287
0.7568	Intermediate Similarity	NPC473182
0.7565	Intermediate Similarity	NPC34508
0.7565	Intermediate Similarity	NPC471294
0.7559	Intermediate Similarity	NPC116238
0.755	Intermediate Similarity	NPC102338
0.755	Intermediate Similarity	NPC111602
0.755	Intermediate Similarity	NPC63199
0.755	Intermediate Similarity	NPC196251
0.7548	Intermediate Similarity	NPC470500
0.7547	Intermediate Similarity	NPC26679
0.7546	Intermediate Similarity	NPC128115
0.7538	Intermediate Similarity	NPC171171
0.7538	Intermediate Similarity	NPC204385
0.7536	Intermediate Similarity	NPC5145
0.7535	Intermediate Similarity	NPC46561
0.7526	Intermediate Similarity	NPC312872
0.7523	Intermediate Similarity	NPC469554
0.7513	Intermediate Similarity	NPC474798
0.7512	Intermediate Similarity	NPC314333
0.7512	Intermediate Similarity	NPC472112
0.75	Intermediate Similarity	NPC470126
0.75	Intermediate Similarity	NPC21605
0.75	Intermediate Similarity	NPC245816
0.75	Intermediate Similarity	NPC329982
0.75	Intermediate Similarity	NPC476138

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC475910 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	213
0.1-0.2	576
0.2-0.3	1066
0.3-0.4	976
0.4-0.5	2397
0.5-0.6	2581
0.6-0.7	1088
0.7-0.8	255
0.8-0.85	8
0.85-0.9	1
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8947	High Similarity	NPD4118	Clinical (unspecified phase)
0.8492	Intermediate Similarity	NPD5658	Approved
0.8392	Intermediate Similarity	NPD3003	Approved
0.8274	Intermediate Similarity	NPD1768	Approved
0.8086	Intermediate Similarity	NPD7194	Discontinued
0.8071	Intermediate Similarity	NPD6861	Clinical (unspecified phase)
0.8068	Intermediate Similarity	NPD5903	Approved
0.8068	Intermediate Similarity	NPD5902	Approved
0.802	Intermediate Similarity	NPD1038	Approved
0.799	Intermediate Similarity	NPD1392	Approved
0.799	Intermediate Similarity	NPD7452	Approved
0.799	Intermediate Similarity	NPD7453	Approved
0.7952	Intermediate Similarity	NPD6985	Discontinued
0.7905	Intermediate Similarity	NPD7823	Clinical (unspecified phase)
0.7902	Intermediate Similarity	NPD7222	Phase 2
0.789	Intermediate Similarity	NPD7558	Phase 2
0.7876	Intermediate Similarity	NPD4204	Approved
0.7876	Intermediate Similarity	NPD4203	Approved
0.7839	Intermediate Similarity	NPD1304	Clinical (unspecified phase)
0.7804	Intermediate Similarity	NPD6824	Clinical (unspecified phase)
0.78	Intermediate Similarity	NPD3324	Clinical (unspecified phase)
0.7773	Intermediate Similarity	NPD5612	Discontinued
0.7767	Intermediate Similarity	NPD8403	Phase 1
0.7751	Intermediate Similarity	NPD4502	Phase 2
0.7718	Intermediate Similarity	NPD32	Approved
0.7718	Intermediate Similarity	NPD4037	Approved
0.7718	Intermediate Similarity	NPD4039	Approved
0.7718	Intermediate Similarity	NPD4035	Approved
0.7718	Intermediate Similarity	NPD4122	Approved
0.7718	Intermediate Similarity	NPD4036	Approved
0.7718	Intermediate Similarity	NPD4795	Phase 2
0.7718	Intermediate Similarity	NPD4034	Approved
0.7718	Intermediate Similarity	NPD4038	Approved
0.7718	Intermediate Similarity	NPD31	Approved
0.7718	Intermediate Similarity	NPD4033	Approved
0.77	Intermediate Similarity	NPD6569	Phase 2
0.7665	Intermediate Similarity	NPD8358	Approved
0.7644	Intermediate Similarity	NPD1326	Approved
0.7644	Intermediate Similarity	NPD1325	Approved
0.7635	Intermediate Similarity	NPD7948	Phase 1
0.7626	Intermediate Similarity	NPD5256	Discontinued
0.7624	Intermediate Similarity	NPD6590	Discontinued
0.7624	Intermediate Similarity	NPD6491	Clinical (unspecified phase)
0.761	Intermediate Similarity	NPD1740	Approved
0.761	Intermediate Similarity	NPD1739	Approved
0.7602	Intermediate Similarity	NPD4885	Approved
0.7596	Intermediate Similarity	NPD5530	Phase 1
0.7588	Intermediate Similarity	NPD2383	Phase 1
0.7583	Intermediate Similarity	NPD5066	Phase 2
0.7583	Intermediate Similarity	NPD6220	Phase 3
0.7583	Intermediate Similarity	NPD5067	Phase 2
0.7574	Intermediate Similarity	NPD802	Phase 2
0.7573	Intermediate Similarity	NPD4511	Phase 1
0.7562	Intermediate Similarity	NPD5913	Phase 3
0.7562	Intermediate Similarity	NPD5912	Clinical (unspecified phase)
0.7547	Intermediate Similarity	NPD3330	Phase 1
0.7546	Intermediate Similarity	NPD5070	Clinical (unspecified phase)
0.7537	Intermediate Similarity	NPD4418	Discontinued
0.7537	Intermediate Similarity	NPD3810	Clinical (unspecified phase)
0.7525	Intermediate Similarity	NPD5083	Clinical (unspecified phase)
0.7524	Intermediate Similarity	NPD2916	Discontinued
0.7512	Intermediate Similarity	NPD4499	Approved
0.75	Intermediate Similarity	NPD3402	Phase 1
0.749	Intermediate Similarity	NPD8363	Approved
0.749	Intermediate Similarity	NPD8364	Approved
0.7488	Intermediate Similarity	NPD5575	Clinical (unspecified phase)
0.7487	Intermediate Similarity	NPD6344	Clinical (unspecified phase)
0.7476	Intermediate Similarity	NPD2175	Phase 3
0.7476	Intermediate Similarity	NPD3825	Phase 3
0.7476	Intermediate Similarity	NPD2177	Approved
0.7476	Intermediate Similarity	NPD2176	Approved
0.7475	Intermediate Similarity	NPD5522	Clinical (unspecified phase)
0.7455	Intermediate Similarity	NPD7675	Phase 3
0.7455	Intermediate Similarity	NPD7676	Clinical (unspecified phase)
0.7455	Intermediate Similarity	NPD7674	Phase 3
0.7454	Intermediate Similarity	NPD5632	Approved
0.7447	Intermediate Similarity	NPD7956	Approved
0.7447	Intermediate Similarity	NPD7955	Approved
0.744	Intermediate Similarity	NPD4601	Approved
0.744	Intermediate Similarity	NPD4396	Clinical (unspecified phase)
0.744	Intermediate Similarity	NPD4600	Approved
0.7436	Intermediate Similarity	NPD5065	Approved
0.7427	Intermediate Similarity	NPD8365	Clinical (unspecified phase)
0.7424	Intermediate Similarity	NPD3037	Phase 1
0.7423	Intermediate Similarity	NPD1078	Clinical (unspecified phase)
0.7418	Intermediate Similarity	NPD3570	Phase 2
0.7416	Intermediate Similarity	NPD6991	Approved
0.7415	Intermediate Similarity	NPD5512	Phase 3
0.7414	Intermediate Similarity	NPD6503	Clinical (unspecified phase)
0.7411	Intermediate Similarity	NPD6494	Phase 2
0.7411	Intermediate Similarity	NPD3920	Phase 2
0.7409	Intermediate Similarity	NPD6872	Clinical (unspecified phase)
0.7409	Intermediate Similarity	NPD6246	Approved
0.7402	Intermediate Similarity	NPD4551	Phase 2
0.7398	Intermediate Similarity	NPD2382	Approved
0.7398	Intermediate Similarity	NPD2380	Approved
0.7398	Intermediate Similarity	NPD2381	Approved
0.7397	Intermediate Similarity	NPD7221	Approved
0.7397	Intermediate Similarity	NPD7219	Approved
0.7395	Intermediate Similarity	NPD5293	Phase 2
0.7395	Intermediate Similarity	NPD6140	Clinical (unspecified phase)
0.7391	Intermediate Similarity	NPD3814	Phase 1
0.7387	Intermediate Similarity	NPD5596	Phase 2
0.7385	Intermediate Similarity	NPD5930	Phase 3
0.7383	Intermediate Similarity	NPD3816	Phase 1
0.7383	Intermediate Similarity	NPD3815	Phase 1
0.7376	Intermediate Similarity	NPD4021	Phase 2
0.7368	Intermediate Similarity	NPD5669	Clinical (unspecified phase)
0.7358	Intermediate Similarity	NPD2189	Approved
0.7358	Intermediate Similarity	NPD2187	Approved
0.7358	Intermediate Similarity	NPD7672	Approved
0.7358	Intermediate Similarity	NPD7671	Approved
0.7356	Intermediate Similarity	NPD4501	Approved
0.7356	Intermediate Similarity	NPD4500	Approved
0.7349	Intermediate Similarity	NPD1322	Clinical (unspecified phase)
0.7337	Intermediate Similarity	NPD7414	Clinical (unspecified phase)
0.7336	Intermediate Similarity	NPD5936	Approved
0.7336	Intermediate Similarity	NPD5939	Approved
0.7325	Intermediate Similarity	NPD8017	Clinical (unspecified phase)
0.7325	Intermediate Similarity	NPD7025	Clinical (unspecified phase)
0.7325	Intermediate Similarity	NPD8016	Phase 3
0.7316	Intermediate Similarity	NPD8359	Phase 2
0.7315	Intermediate Similarity	NPD5417	Clinical (unspecified phase)
0.7309	Intermediate Similarity	NPD7710	Clinical (unspecified phase)
0.7309	Intermediate Similarity	NPD5559	Phase 2
0.7306	Intermediate Similarity	NPD6242	Discontinued
0.7297	Intermediate Similarity	NPD7426	Phase 1
0.7295	Intermediate Similarity	NPD6769	Clinical (unspecified phase)
0.7295	Intermediate Similarity	NPD5003	Discontinued
0.7292	Intermediate Similarity	NPD7803	Approved
0.7282	Intermediate Similarity	NPD4724	Clinical (unspecified phase)
0.7268	Intermediate Similarity	NPD3922	Approved
0.7268	Intermediate Similarity	NPD3921	Approved
0.7268	Intermediate Similarity	NPD3923	Approved
0.7268	Intermediate Similarity	NPD3924	Approved
0.726	Intermediate Similarity	NPD7889	Clinical (unspecified phase)
0.7256	Intermediate Similarity	NPD6567	Clinical (unspecified phase)
0.7255	Intermediate Similarity	NPD6281	Approved
0.7249	Intermediate Similarity	NPD2921	Clinical (unspecified phase)
0.7246	Intermediate Similarity	NPD3478	Clinical (unspecified phase)
0.7246	Intermediate Similarity	NPD3477	Phase 2
0.7243	Intermediate Similarity	NPD2125	Clinical (unspecified phase)
0.724	Intermediate Similarity	NPD1954	Phase 1
0.7236	Intermediate Similarity	NPD8467	Approved
0.7236	Intermediate Similarity	NPD7479	Phase 2
0.7236	Intermediate Similarity	NPD8466	Approved
0.7236	Intermediate Similarity	NPD8465	Approved
0.7225	Intermediate Similarity	NPD4548	Discontinued
0.7222	Intermediate Similarity	NPD6243	Phase 3
0.7222	Intermediate Similarity	NPD6244	Phase 3
0.7217	Intermediate Similarity	NPD3946	Clinical (unspecified phase)
0.7217	Intermediate Similarity	NPD3397	Phase 2
0.7215	Intermediate Similarity	NPD8405	Clinical (unspecified phase)
0.7215	Intermediate Similarity	NPD8109	Clinical (unspecified phase)
0.7205	Intermediate Similarity	NPD7729	Clinical (unspecified phase)
0.7202	Intermediate Similarity	NPD1684	Approved
0.7202	Intermediate Similarity	NPD1685	Approved
0.72	Intermediate Similarity	NPD8512	Phase 3
0.7198	Intermediate Similarity	NPD3395	Approved
0.7198	Intermediate Similarity	NPD3396	Approved
0.7195	Intermediate Similarity	NPD7726	Phase 1
0.7192	Intermediate Similarity	NPD4375	Approved
0.7188	Intermediate Similarity	NPD6327	Phase 1
0.7186	Intermediate Similarity	NPD6473	Phase 1
0.7183	Intermediate Similarity	NPD3932	Clinical (unspecified phase)
0.7169	Intermediate Similarity	NPD5164	Discontinued
0.7163	Intermediate Similarity	NPD6550	Discontinued
0.7163	Intermediate Similarity	NPD4437	Phase 3
0.7162	Intermediate Similarity	NPD6160	Clinical (unspecified phase)
0.7157	Intermediate Similarity	NPD5680	Clinical (unspecified phase)
0.715	Intermediate Similarity	NPD4076	Approved
0.715	Intermediate Similarity	NPD6290	Phase 2
0.715	Intermediate Similarity	NPD1620	Clinical (unspecified phase)
0.715	Intermediate Similarity	NPD5429	Discontinued
0.715	Intermediate Similarity	NPD4079	Approved
0.7143	Intermediate Similarity	NPD4889	Approved
0.7143	Intermediate Similarity	NPD8244	Phase 2
0.7143	Intermediate Similarity	NPD6790	Phase 1
0.7143	Intermediate Similarity	NPD6610	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD7069	Discontinued
0.7137	Intermediate Similarity	NPD7796	Approved
0.7137	Intermediate Similarity	NPD7797	Approved
0.7129	Intermediate Similarity	NPD2952	Discontinued
0.7129	Intermediate Similarity	NPD4673	Phase 2
0.7128	Intermediate Similarity	NPD5744	Clinical (unspecified phase)
0.7125	Intermediate Similarity	NPD7708	Approved
0.7124	Intermediate Similarity	NPD7589	Clinical (unspecified phase)
0.7124	Intermediate Similarity	NPD6969	Phase 2
0.7124	Intermediate Similarity	NPD6230	Discontinued
0.7124	Intermediate Similarity	NPD4349	Approved
0.7124	Intermediate Similarity	NPD4350	Approved
0.7124	Intermediate Similarity	NPD6968	Phase 2
0.7123	Intermediate Similarity	NPD6803	Clinical (unspecified phase)
0.712	Intermediate Similarity	NPD8459	Approved
0.712	Intermediate Similarity	NPD8425	Approved
0.712	Intermediate Similarity	NPD8426	Approved
0.712	Intermediate Similarity	NPD8460	Approved
0.7115	Intermediate Similarity	NPD6251	Discontinued
0.7113	Intermediate Similarity	NPD8091	Phase 3
0.7111	Intermediate Similarity	NPD3259	Approved

Structure

NPC475910 OpenBabel07101719242D 24 28 0 0 1 0 0 0 0 0999 V2000 -0.3347 -1.9437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4034 3.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2764 -1.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5700 1.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7367 0.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7322 -0.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8474 -0.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7988 0.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3096 1.7061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7367 2.5905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3998 0.6014 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8173 1.1249 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5700 2.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9034 1.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9882 0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4613 1.6714 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9034 2.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4226 1.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1718 0.9468 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6795 0.3657 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9882 2.4068 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 -1.4580 -0.1999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4034 2.5905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 2 24 1 0 0 0 0 4 5 2 0 0 0 0 4 13 1 0 0 0 0 5 14 1 0 0 0 0 6 7 1 0 0 0 0 6 15 1 0 0 0 0 7 22 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 10 13 2 0 0 0 0 10 17 1 0 0 0 0 11 3 1 1 0 0 0 11 19 1 0 0 0 0 12 8 1 1 0 0 0 12 20 1 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 17 2 0 0 0 0 15 18 2 0 0 0 0 16 9 1 1 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 21 1 0 0 0 0 18 21 1 0 0 0 0 19 22 1 6 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	44566749
ChEMBL	CHEMBL518328
ZINC

Physicochemical Properties

Molecular Weight:	326.20
ALogP:	-1.6005
MLogP:	3.22
XLogP:	3.045
# Rotatable Bonds:	5
Polar Surface Area:	48.49
# H-Bond Aceptor:	3
# H-Bond Donor:	2
# Rings:	3
# Heavy Atoms:	24

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