Bioactive Compound Details

BioIDbio1485
NameDEURUXOLITINIB
ChEMBL IDCHEMBL4594381
Molecular FormulaC17H18N6
Molecular Weight314.42
Molecular Weight (Monoisotopic)306.1593
TypeSmall molecule
Max PhasePhase 3
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsC-21543|CTP-543|D8-ruxolitinib|DEURUXOLITINIB
Smiles[2H]C1([2H])C([C@@H](CC#N)n2cc(-c3ncnc4[nH]ccc34)cn2)C([2H])([2H])C([2H])([2H])C1([2H])[2H]
InchiInChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1/i1D2,2D2,3D2,4D2
Inchi KeyHFNKQEVNSGCOJV-FBXGHSCESA-N
Molecular SpeciesNEUTRAL
TargetsNone
BioactivitiesNone
Np Likeness Score-0.9
Records Key['DEURUXOLITINIB', 'DEURUXOLITINIB']
Records Name['DEURUXOLITINIB', 'DEURUXOLITINIB']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure