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CHEBI:232778 - Akt1/2 kinase inhibitor

ChEBI IDCHEBI:232778
ChEBI NameAkt1/2 kinase inhibitor
Stars
SubmitterFlyBase
DownloadsMolfile
FormulaC2HF3O2.C34H29N7O.H2O
Net Charge0
Average Mass683.691
Monoisotopic Mass683.24679
SMILESO.O=C(O)C(F)(F)F.Oc1nc2ccccc2n1C1CCN(Cc2ccc(-c3nc4cc5ncnc5cc4nc3-c3ccccc3)cc2)CC1
InChIInChI=1S/C34H29N7O.C2HF3O2.H2O/c42-34-39-26-8-4-5-9-31(26)41(34)25-14-16-40(17-15-25)20-22-10-12-24(13-11-22)33-32(23-6-2-1-3-7-23)37-29-18-27-28(36-21-35-27)19-30(29)38-33;3-2(4,5)1(6)7;/h1-13,18-19,21,25,38H,14-17,20H2,(H,39,42);(H,6,7);1H2
InChIKeyGXGCSBFXFZDOGT-UHFFFAOYSA-N
Roles Classification
Biological Role:
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor  An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of non-specific serine/threonine protein kinase (EC 2.7.11.1), a kinase enzyme involved in phosphorylation of hydroxy group of serine or threonine.
ChEBI Ontology
Outgoing Relation(s)
Akt1/2 kinase inhibitor (CHEBI:232778) has role EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor (CHEBI:50925)
Akt1/2 kinase inhibitor (CHEBI:232778) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
3-[1-[[4-(6-phenyl-8H-imidazo[4,5-g]quinoxalin-7-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one;2,2,2-trifluoroacetic acid;hydrate
Citations