Bioactive Compound Details

BioIDbio3449
NameICOTINIB HYDROCHLORIDE
ChEMBL IDCHEMBL4297665
Molecular FormulaC22H22ClN3O4
Molecular Weight427.89
Molecular Weight (Monoisotopic)391.1532
TypeSmall molecule
Max PhaseUnknown
Target IDTar18
Target NameSerine/threonine-protein kinase cot (COT)
SynonymsBPI-2009H|CONMANA|ICOTINIB HYDROCHLORIDE
SmilesC#Cc1cccc(Nc2ncnc3cc4c(cc23)OCCOCCOCCO4)c1.Cl
InchiInChI=1S/C22H21N3O4.ClH/c1-2-16-4-3-5-17(12-16)25-22-18-13-20-21(14-19(18)23-15-24-22)29-11-9-27-7-6-26-8-10-28-20;/h1,3-5,12-15H,6-11H2,(H,23,24,25);1H
Inchi KeyPNNGXMJMUUJHAV-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
TargetsNone
BioactivitiesNone
Np Likeness Score-1.28
Records Key['ICOTINIB HYDROCHLORIDE']
Records Name['ICOTINIB HYDROCHLORIDE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure