Bioactive Compound Details

BioIDbio3505
NameNEMIRALISIB SUCCINATE
ChEMBL IDCHEMBL4297193
Molecular FormulaC56H62N12O6
Molecular Weight999.19
Molecular Weight (Monoisotopic)440.2325
TypeSmall molecule
Max PhaseUnknown
Target IDTar18
Target NameSerine/threonine-protein kinase cot (COT)
SynonymsGSK-2269557H|GSK2269557H|NEMIRALISIB HEMISUCCINATE|NEMIRALISIB SUCCINATE
SmilesCC(C)N1CCN(Cc2cnc(-c3cc(-c4cccc5[nH]ccc45)cc4[nH]ncc34)o2)CC1.CC(C)N1CCN(Cc2cnc(-c3cc(-c4cccc5[nH]ccc45)cc4[nH]ncc34)o2)CC1.O=C(O)CCC(=O)O
InchiInChI=1S/2C26H28N6O.C4H6O4/c2*1-17(2)32-10-8-31(9-11-32)16-19-14-28-26(33-19)22-12-18(13-25-23(22)15-29-30-25)20-4-3-5-24-21(20)6-7-27-24;5-3(6)1-2-4(7)8/h2*3-7,12-15,17,27H,8-11,16H2,1-2H3,(H,29,30);1-2H2,(H,5,6)(H,7,8)
Inchi KeyMEBXGOVBBDIMBC-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
TargetsNone
BioactivitiesNone
Np Likeness Score-1.18
Records Key['NEMIRALISIB SUCCINATE']
Records Name['NEMIRALISIB SUCCINATE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure