Bioactive Compound Details

BioIDbio3447
NameAFURESERTIB HYDROCHLORIDE
ChEMBL IDCHEMBL2219423
Molecular FormulaC18H18Cl3FN4OS
Molecular Weight463.79
Molecular Weight (Monoisotopic)426.0484
TypeSmall molecule
Max PhaseUnknown
Target IDTar18
Target NameSerine/threonine-protein kinase cot (COT)
SynonymsAFURESERTIB HYDROCHLORIDE|GSK-2110183B|GSK2110183B
SmilesCl.Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2cccc(F)c2)sc1Cl
InchiInChI=1S/C18H17Cl2FN4OS.ClH/c1-25-16(14(19)9-23-25)13-7-15(27-17(13)20)18(26)24-12(8-22)6-10-3-2-4-11(21)5-10;/h2-5,7,9,12H,6,8,22H2,1H3,(H,24,26);1H/t12-;/m0./s1
Inchi KeyYFQJOPFTGMHYNV-YDALLXLXSA-N
Molecular SpeciesBASE
TargetsNone
BioactivitiesNone
Np Likeness Score-1.47
Records Key['AFURESERTIB HYDROCHLORIDE']
Records Name['AFURESERTIB HYDROCHLORIDE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure