Bioactive Compound Details

BioIDbio3552
NameCOPANLISIB HYDROCHLORIDE
ChEMBL IDCHEMBL3545068
Molecular FormulaC23H30Cl2N8O4
Molecular Weight553.45
Molecular Weight (Monoisotopic)480.2234
TypeSmall molecule
Max PhasePhase 4
Target IDTar18
Target NameSerine/threonine-protein kinase cot (COT)
SynonymsALIQOPA|BAY 80-6946 DIHYDROCHLORIDE|BAY 84-1236|BAY-80-6946 DIHYDROCHLORIDE|BAY-84-1236|COPANLISIB DIHYDROCHLORIDE|COPANLISIB HYDROCHLORIDE|COPANLISIB HYDROCHLORIDE HYDRATE
SmilesCOc1c(OCCCN2CCOCC2)ccc2c1N=C(NC(=O)c1cnc(N)nc1)N1CCN=C21.Cl.Cl
InchiInChI=1S/C23H28N8O4.2ClH/c1-33-19-17(35-10-2-6-30-8-11-34-12-9-30)4-3-16-18(19)28-23(31-7-5-25-20(16)31)29-21(32)15-13-26-22(24)27-14-15;;/h3-4,13-14H,2,5-12H2,1H3,(H2,24,26,27)(H,28,29,32);2*1H
Inchi KeySTGQPVQAAFJJFX-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
TargetsNone
BioactivitiesNone
Np Likeness Score-1.06
Records Key['COPANLISIB HYDROCHLORIDE', 'COPANLISIB HYDROCHLORIDE', 'COPANLISIB HYDROCHLORIDE']
Records Name['COPANLISIB HYDROCHLORIDE', 'COPANLISIB HYDROCHLORIDE', 'COPANLISIB HYDROCHLORIDE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure