Bioactive Compound Details

BioIDbio35833
NameZATOLMILAST
ChEMBL IDCHEMBL4541964
Molecular FormulaC21H15ClF3NO2
Molecular Weight405.8
Molecular Weight (Monoisotopic)405.0743
TypeSmall molecule
Max PhasePhase 3
Target IDTar2
Target NamePhosphodiesterase 2A (PDE2A)
SynonymsBPN-14770|BPN14770|ZATOLMILAST
SmilesO=C(O)Cc1ccc(Cc2cc(-c3cccc(Cl)c3)nc(C(F)(F)F)c2)cc1
InchiInChI=1S/C21H15ClF3NO2/c22-17-3-1-2-16(12-17)18-9-15(10-19(26-18)21(23,24)25)8-13-4-6-14(7-5-13)11-20(27)28/h1-7,9-10,12H,8,11H2,(H,27,28)
Inchi KeyLTSUMTMGJHPGFX-UHFFFAOYSA-N
Molecular SpeciesACID
Targets29.0
Bioactivities88.0
Np Likeness Score-0.78
Records Key['28; BPN14770', 'ZATOLMILAST', 'ZATOLMILAST', '35', 'BPN14770', 'Zatolmilast']
Records Name['2-(4-((2-(3-Chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl)methyl)phenyl)acetic Acid', 'ZATOLMILAST', 'ZATOLMILAST', '2-(4-((2-(3-chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl)methyl)phenyl)acetic acid', '2-(4-((2-(3-chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl)methyl)phenyl)acetic acid', 'Zatolmilast']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure