Bioactive Compound Details

BioIDbio3450
NameMOLIBRESIB BESYLATE
ChEMBL IDCHEMBL4297217
Molecular FormulaC28H28ClN5O5S
Molecular Weight582.08
Molecular Weight (Monoisotopic)423.1462
TypeSmall molecule
Max PhasePhase 1
Target IDTar18
Target NameSerine/threonine-protein kinase cot (COT)
SynonymsGSK-525762C|GSK525762C|MOLIBRESIB BESYLATE
SmilesCCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21.O=S(=O)(O)c1ccccc1
InchiInChI=1S/C22H22ClN5O2.C6H6O3S/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14;7-10(8,9)6-4-2-1-3-5-6/h5-11,18H,4,12H2,1-3H3,(H,24,29);1-5H,(H,7,8,9)/t18-;/m0./s1
Inchi KeyUQGMFOYDYUZADE-FERBBOLQSA-N
Molecular SpeciesNEUTRAL
TargetsNone
BioactivitiesNone
Np Likeness Score-0.99
Records Key['MOLIBRESIB BESYLATE', 'MOLIBRESIB BESYLATE']
Records Name['MOLIBRESIB BESYLATE', 'MOLIBRESIB BESYLATE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure