Bioactive Compound Details

BioIDbio3370
NameDERAZANTINIB HYDROCHLORIDE
ChEMBL IDCHEMBL4298156
Molecular FormulaC29H31Cl2FN4O
Molecular Weight541.5
Molecular Weight (Monoisotopic)468.2325
TypeSmall molecule
Max PhasePhase 1
Target IDTar18
Target NameSerine/threonine-protein kinase cot (COT)
SynonymsAQ14741087|ARQ 087.2HCl|DERAZANTINIB DIHYDROCHLORIDE|DERAZANTINIB HYDROCHLORIDE
SmilesCOCCNCCc1cccc(Nc2ncc3c(n2)-c2ccccc2[C@H](c2ccccc2F)C3)c1.Cl.Cl
InchiInChI=1S/C29H29FN4O.2ClH/c1-35-16-15-31-14-13-20-7-6-8-22(17-20)33-29-32-19-21-18-26(24-10-4-5-12-27(24)30)23-9-2-3-11-25(23)28(21)34-29;;/h2-12,17,19,26,31H,13-16,18H2,1H3,(H,32,33,34);2*1H/t26-;;/m1../s1
Inchi KeyOLDWOVJAXRWCGT-FBHGDYMESA-N
Molecular SpeciesBASE
TargetsNone
BioactivitiesNone
Np Likeness Score-0.88
Records Key['DERAZANTINIB HYDROCHLORIDE']
Records Name['DERAZANTINIB HYDROCHLORIDE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure