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CHEBI:142445 - CMB4563

ChEBI IDCHEBI:142445
ChEBI NameCMB4563
Stars
DefinitionAn imidazoquinoline that is 1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one which is substituted at positions 1, 3, and 8 by by p-(pyrrol-1-yl)phenyl, methyl, and pyridin-3-yl group, respectively. A potent and specific inhibitor of Target Of Rapamycin Complex 2 (TORC2).
Last Modified19 October 2018
SubmitterGareth Owen
DownloadsMolfile
FormulaC26H19N5O
Net Charge0
Average Mass417.472
Monoisotopic Mass417.15896
SMILESCn1c(=O)n(-c2ccc(-n3cccc3)cc2)c2c3cc(-c4cccnc4)ccc3ncc21
InChIInChI=1S/C26H19N5O/c1-29-24-17-28-23-11-6-18(19-5-4-12-27-16-19)15-22(23)25(24)31(26(29)32)21-9-7-20(8-10-21)30-13-2-3-14-30/h2-17H,1H3
InChIKeyCQQZVRUJSYPEQY-UHFFFAOYSA-N
Roles Classification
Biological Role:
protein kinase inhibitor  An EC 2.7.* (P-containing group transferase) inhibitor that interferes with the action of protein kinases.
ChEBI Ontology
Outgoing Relation(s)
CMB4563 (CHEBI:142445) has role protein kinase inhibitor (CHEBI:37699)
CMB4563 (CHEBI:142445) is a imidazoquinoline (CHEBI:38776)
CMB4563 (CHEBI:142445) is a phenylureas (CHEBI:134043)
CMB4563 (CHEBI:142445) is a pyridines (CHEBI:26421)
CMB4563 (CHEBI:142445) is a pyrroles (CHEBI:26455)
IUPAC Name 
3-methyl-8-(pyridin-3-yl)-1-[4-(1H-pyrrol-1-yl)phenyl]-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one
Synonyms  Source
CMB 4563ChEBI
CMB-4563ChEBI
1-(4-(1H-pyrrol-1-yl)phenyl)-3-methyl-8-(pyridin-3-yl)-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-oneChEBI
Registry NumbersSources
Reaxys:33175572Reaxys
Citations