Bioactive Compound Details

BioIDbio3498
NameOLMUTINIB HYDROCHLORIDE
ChEMBL IDCHEMBL3989930
Molecular FormulaC26H28Cl2N6O2S
Molecular Weight559.52
Molecular Weight (Monoisotopic)486.1838
TypeSmall molecule
Max PhaseUnknown
Target IDTar18
Target NameSerine/threonine-protein kinase cot (COT)
SynonymsBI1482694CL2|OLMUTINIB DIHYDROCHLORIDE|OLMUTINIB HYDROCHLORIDE
SmilesC=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccsc23)c1.Cl.Cl
InchiInChI=1S/C26H26N6O2S.2ClH/c1-3-23(33)27-19-5-4-6-21(17-19)34-25-24-22(11-16-35-24)29-26(30-25)28-18-7-9-20(10-8-18)32-14-12-31(2)13-15-32;;/h3-11,16-17H,1,12-15H2,2H3,(H,27,33)(H,28,29,30);2*1H
Inchi KeyKIHHNWDWKMJZHH-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
TargetsNone
BioactivitiesNone
Np Likeness Score-1.77
Records Key['OLMUTINIB HYDROCHLORIDE']
Records Name['OLMUTINIB HYDROCHLORIDE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure