Bioactive Compound Details

BioIDbio3501
NameZATONACAFTOR
ChEMBL IDCHEMBL5314493
Molecular FormulaC24H27N3O4S
Molecular Weight453.56
Molecular Weight (Monoisotopic)453.1722
TypeSmall molecule
Max PhasePhase 2
Target IDTar18
Target NameSerine/threonine-protein kinase cot (COT)
SynonymsZATONACAFTOR
SmilesCCc1cnc(OC(C)C)c(C2(C(=O)NS(=O)(=O)c3cccc4nc(C)ccc34)CC2)c1
InchiInChI=1S/C24H27N3O4S/c1-5-17-13-19(22(25-14-17)31-15(2)3)24(11-12-24)23(28)27-32(29,30)21-8-6-7-20-18(21)10-9-16(4)26-20/h6-10,13-15H,5,11-12H2,1-4H3,(H,27,28)
Inchi KeyGTTUAFLREAIAHI-UHFFFAOYSA-N
Molecular SpeciesACID
TargetsNone
BioactivitiesNone
Np Likeness Score-1.0
Records Key['ZATONACAFTOR']
Records Name['ZATONACAFTOR']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure