Bioactive Compound Details

BioIDbio3375
NameRIPRETINIB
ChEMBL IDCHEMBL4216467
Molecular FormulaC24H21BrFN5O2
Molecular Weight510.37
Molecular Weight (Monoisotopic)509.0863
TypeSmall molecule
Max PhasePhase 4
Target IDTar18
Target NameSerine/threonine-protein kinase cot (COT)
SynonymsDCC-2618|Qinlock|RIPRETINIB
SmilesCCn1c(=O)c(-c2cc(NC(=O)Nc3ccccc3)c(F)cc2Br)cc2cnc(NC)cc21
InchiInChI=1S/C24H21BrFN5O2/c1-3-31-21-12-22(27-2)28-13-14(21)9-17(23(31)32)16-10-20(19(26)11-18(16)25)30-24(33)29-15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,27,28)(H2,29,30,33)
Inchi KeyCEFJVGZHQAGLHS-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets6.0
Bioactivities29.0
Np Likeness Score-1.53
Records Key['4; DCC-2618', 'RIPRETINIB', 'RIPRETINIB', 'RIPRETINIB', 'RIPRETINIB', 'RIPRETINIB', 'Ripretinib', 'Ripretinib']
Records Name['Ripretinib', 'RIPRETINIB', 'RIPRETINIB', 'RIPRETINIB', 'RIPRETINIB', 'RIPRETINIB', 'Ripretinib', 'Ripretinib']
Withdrawn FlagFalse
Orphan1

Molecular Structure

2D Molecular Structure