Bioactive Compound Details

BioIDbio1885
NameJHU-75528 C-11
ChEMBL IDCHEMBL476413
Molecular FormulaC23H21Cl2N5O2
Molecular Weight469.36
Molecular Weight (Monoisotopic)469.1072
TypeSmall molecule
Max PhaseEarly Phase 1
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonyms11C-JHU 75528|11C-OMAR|JHU-75528 C-11|OMAR C-11|[11C]NIDA41020
Smiles[11CH3]Oc1ccc(-c2c(C#N)c(C(=O)NN3CCCCC3)nn2-c2ccc(Cl)cc2Cl)cc1
InchiInChI=1S/C23H21Cl2N5O2/c1-32-17-8-5-15(6-9-17)22-18(14-26)21(23(31)28-29-11-3-2-4-12-29)27-30(22)20-10-7-16(24)13-19(20)25/h5-10,13H,2-4,11-12H2,1H3,(H,28,31)/i1-1
Inchi KeyMCNQUWLLXZZZAC-BJUDXGSMSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities2.0
Np Likeness Score-1.51
Records Key['[11C]3, [11C]NIDA41020', '[11C]5a', 'JHU-75528 C-11']
Records Name['4-cyano-1-(2,4-dichlorophenyl)-5-([11C]-4-methoxyphenyl)-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide', '4-Cyano-1-(2,4-dichlorophenyl)-5-(4-[11C]methoxyphenyl)-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide', 'JHU-75528 C-11']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure