Bioactive Compound Details

BioIDbio1486
NameCCX354
ChEMBL IDCHEMBL4444976
Molecular FormulaC22H22ClN7O2
Molecular Weight451.92
Molecular Weight (Monoisotopic)451.1524
TypeSmall molecule
Max PhasePhase 2
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsCCX-354|CCX354|CCX354-C|GSK-2941266|GSK2941266
SmilesCOc1cc(N2CCN(C(=O)Cn3nc(-c4ncc[nH]4)c4cccnc43)CC2)ccc1Cl
InchiInChI=1S/C22H22ClN7O2/c1-32-18-13-15(4-5-17(18)23)28-9-11-29(12-10-28)19(31)14-30-22-16(3-2-6-26-22)20(27-30)21-24-7-8-25-21/h2-8,13H,9-12,14H2,1H3,(H,24,25)
Inchi KeyZIMLRKWQDLVPEK-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities4.0
Np Likeness Score-1.89
Records Key['CCX354', '4; CCX354', '4; CCX-354']
Records Name['CCX354', '2-(3-(1H-imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl)-1-(4-(4-chloro-3-methoxyphenyl)piperazin-1-yl)ethanone', '2-(3-(1H-imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl)-1-(4-(4-chloro-3-methoxyphenyl)piperazin-1-yl)ethanone']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure