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CHEBI:229938 - GDC-0326

ChEBI IDCHEBI:229938
ChEBI NameGDC-0326
Stars
DefinitionAn organic heterotricyclic compound that is 5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine substituted by 1-(propan-2-yl)-1H-1,2,4-triazol-5-yl and [(2S)-1-amino-1-oxopropan-2-yl]oxy groups at positions 2 and 9, respectively. It is a potent and selective inhibitor of PI3Kα (Ki = 0.2 nM).
Last Modified30 May 2024
Submitterdoughowe
DownloadsMolfile
FormulaC19H22N6O3
Net Charge0
Average Mass382.424
Monoisotopic Mass382.17534
SMILESCC(C)n1ncnc1-c1cn2c(n1)-c1ccc(O[C@@H](C)C(N)=O)cc1OCC2
InChIInChI=1S/C19H22N6O3/c1-11(2)25-19(21-10-22-25)15-9-24-6-7-27-16-8-13(28-12(3)17(20)26)4-5-14(16)18(24)23-15/h4-5,8-12H,6-7H2,1-3H3,(H2,20,26)/t12-/m0/s1
InChIKeySIKYDKLGPWRPMZ-LBPRGKRZSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor  An inhibitor of phosphatidylinositol 3-kinase, EC 2.7.1.137, a family of related enzymes capable of phosphorylating the 3 position hydroxy group of the inositol ring of a phosphatidylinositol.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
GDC-0326 (CHEBI:229938) has role antineoplastic agent (CHEBI:35610)
GDC-0326 (CHEBI:229938) has role EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor (CHEBI:50914)
GDC-0326 (CHEBI:229938) is a ether (CHEBI:25698)
GDC-0326 (CHEBI:229938) is a organic heterotricyclic compound (CHEBI:26979)
GDC-0326 (CHEBI:229938) is a primary carboxamide (CHEBI:140324)
GDC-0326 (CHEBI:229938) is a tertiary amino compound (CHEBI:50996)
GDC-0326 (CHEBI:229938) is a triazoles (CHEBI:35727)
IUPAC Name 
(2S)-2-({2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}oxy)propanamide
Synonyms  Source
GDC0326SUBMITTER
GDC 0326ChEBI
(S)-2-((2-(1-Isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)oxy)propanamideChEBI
Manual XrefsDatabases
5H5PDBeChem
Registry NumbersSources
CAS:1282514-88-8ChEBI
Citations