CHEBI:229938 - GDC-0326

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ChEBI Name GDC-0326
ChEBI ID CHEBI:229938
Definition An 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).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Doug Howe
Supplier Information
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Formula C19H22N6O3
Net Charge 0
Average Mass 382.424
Monoisotopic Mass 382.17534
InChI InChI=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
InChIKey SIKYDKLGPWRPMZ-LBPRGKRZSA-N
SMILES CC(C)N1N=CN=C1C1=CN2CCOC3=C(C=CC(O[C@@H](C)C(N)=O)=C3)C2=N1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): 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(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
(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)propanamide ChEBI
GDC 0326 ChEBI
GDC0326 SUBMITTER
Manual Xref Database
5H5 PDBeChem
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Registry Number Type Source
1282514-88-8 CAS Registry Number ChEBI
Citations Waiting for Citations Types Sources
26741947 PubMed citation Europe PMC
27225693 PubMed citation Europe PMC
33880032 PubMed citation Europe PMC
35276506 PubMed citation Europe PMC
35337795 PubMed citation SUBMITTER
37632299 PubMed citation Europe PMC
Last Modified
30 May 2024