Bioactive Compound Details

BioIDbio3466
NameEFONIDIPINE
ChEMBL IDCHEMBL2074922
Molecular FormulaC34H38N3O7P
Molecular Weight631.67
Molecular Weight (Monoisotopic)631.2447
TypeSmall molecule
Max PhasePhase 2
Target IDTar18
Target NameSerine/threonine-protein kinase cot (COT)
SynonymsEFONIDIPINE|EFONIDIPINE HYDROCHLORIDE|EFONIDIPINO
SmilesCC1=C(C(=O)OCCN(Cc2ccccc2)c2ccccc2)C(c2cccc([N+](=O)[O-])c2)C(P2(=O)OCC(C)(C)CO2)=C(C)N1
InchiInChI=1S/C34H38N3O7P/c1-24-30(33(38)42-19-18-36(28-15-9-6-10-16-28)21-26-12-7-5-8-13-26)31(27-14-11-17-29(20-27)37(39)40)32(25(2)35-24)45(41)43-22-34(3,4)23-44-45/h5-17,20,31,35H,18-19,21-23H2,1-4H3
Inchi KeyNSVFSAJIGAJDMR-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets6.0
Bioactivities16.0
Np Likeness Score-0.78
Records Key['Efonidipine', 'Efonidipine', 'EFONIDIPINE', 'Efonidipine', 'SID144206968', 'efonidipine-monoethanolate', 'EFONIDIPINE-MONOETHANOLATE', 'Efonidipine', 'efonidipine-monoethanolate', 'efonidipine-monoethanolate']
Records Name['Efonidipine', 'Efonidipine', 'EFONIDIPINE', 'Efonidipine', 'SID144206968', 'efonidipine-monoethanolate', 'EFONIDIPINE-MONOETHANOLATE', 'Efonidipine', 'efonidipine-monoethanolate', 'efonidipine-monoethanolate']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure