Bioactive Compound Details

BioIDbio35839
NameELBIMILAST
ChEMBL IDCHEMBL4568146
Molecular FormulaC21H13Cl2FN4O2
Molecular Weight443.27
Molecular Weight (Monoisotopic)442.04
TypeSmall molecule
Max PhasePhase 1
Target IDTar2
Target NamePhosphodiesterase 2A (PDE2A)
SynonymsAWD-12353|ELB-353|ELB353|ELBIMILAST|RONOMILAST
SmilesO=C(Nc1c(Cl)cncc1Cl)C(=O)c1cn(Cc2ccc(F)cc2)c2ncccc12
InchiInChI=1S/C21H13Cl2FN4O2/c22-16-8-25-9-17(23)18(16)27-21(30)19(29)15-11-28(20-14(15)2-1-7-26-20)10-12-3-5-13(24)6-4-12/h1-9,11H,10H2,(H,25,27,30)
Inchi KeyJERXUPDBWDWFCF-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities2.0
Np Likeness Score-1.56
Records Key['ELB-353', '35', 'ELBIMILAST']
Records Name['Ronomilast', 'Ronomilast', 'ELBIMILAST']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure