Bioactive Compound Details

BioIDbio35838
NameLIRIMILAST
ChEMBL IDCHEMBL1922282
Molecular FormulaC17H12Cl2N2O6S
Molecular Weight443.26
Molecular Weight (Monoisotopic)441.9793
TypeSmall molecule
Max PhasePhase 2
Target IDTar2
Target NamePhosphodiesterase 2A (PDE2A)
SynonymsLIRIMILAST
SmilesCS(=O)(=O)Oc1ccc2c(NC(N)=O)c(C(=O)c3ccc(Cl)cc3Cl)oc2c1
InchiInChI=1S/C17H12Cl2N2O6S/c1-28(24,25)27-9-3-5-11-13(7-9)26-16(14(11)21-17(20)23)15(22)10-4-2-8(18)6-12(10)19/h2-7H,1H3,(H3,20,21,23)
Inchi KeyYPFLFUJKZDAXRA-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets5.0
Bioactivities23.0
Np Likeness Score-1.2
Records Key['BAY-198004', 'SID137275962', 'LIRIMILAST', 'Lirimilast', 'Lirimilast', 'LIRIMILAST', 'Lirimilast']
Records Name['2-(2,4-dichlorobenzoyl)-3-ureidobenzofuran-6-yl methanesulfonate', 'SID137275962', 'LIRIMILAST', 'Lirimilast', 'Lirimilast', 'LIRIMILAST', 'Lirimilast']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure