Bioactive Compound Details

BioIDbio3479
NameFILGOTINIB HYDROCHLORIDE
ChEMBL IDCHEMBL3301602
Molecular FormulaC21H30ClN5O6S
Molecular Weight516.02
Molecular Weight (Monoisotopic)425.1522
TypeSmall molecule
Max PhaseUnknown
Target IDTar18
Target NameSerine/threonine-protein kinase cot (COT)
SynonymsFILGOTINIB HYDROCHLORIDE|G-146034_101|G146034_101
SmilesCl.O.O.O.O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1
InchiInChI=1S/C21H23N5O3S.ClH.3H2O/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25;;;;/h1-7,17H,8-14H2,(H,23,24,27);1H;3*1H2
Inchi KeyVLVWKOPMGYYNKV-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
TargetsNone
BioactivitiesNone
Np Likeness Score-2.0
Records Key['FILGOTINIB HYDROCHLORIDE']
Records Name['FILGOTINIB HYDROCHLORIDE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure