Bioactive Compound Details

BioIDbio83561
NameIRAMPANEL
ChEMBL IDCHEMBL29741
Molecular FormulaC18H19N3O2
Molecular Weight309.37
Molecular Weight (Monoisotopic)309.1477
TypeSmall molecule
Max PhasePhase 2
Target IDTar93
Target NameNone
SynonymsBIIR 561|BIIR-561|BIIR-561 CL|IRAMPANEL|Irampanel
SmilesCN(C)CCOc1ccccc1-c1nc(-c2ccccc2)no1
InchiInChI=1S/C18H19N3O2/c1-21(2)12-13-22-16-11-7-6-10-15(16)18-19-17(20-23-18)14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3
Inchi KeyQZULPCPLWGCGSL-UHFFFAOYSA-N
Molecular SpeciesBASE
Targets3.0
Bioactivities5.0
Np Likeness Score-1.54
Records Key['46', '41', 'IRAMPANEL', 'IRAMPANEL']
Records Name['Dimethyl-{2-[2-(3-phenyl-[1,2,4]oxadiazol-5-yl)-phenoxy]-ethyl}-amine (BIIR 561 CL)', 'Irampanel', 'IRAMPANEL', 'IRAMPANEL']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure