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CHEBI:747853 - Gedatolisib

Default Structure
ChEBI IDCHEBI:747853
ChEBI NameGedatolisib
Stars
DefinitionGedatolisib (PKI-587) is a highly potent dual inhibitor of PI3Kα, PI3Kγ, and mTOR with IC50s of 0.4 nM, 5.4 nM and 1.6 nM, respectively. Gedatolisib is equally effective in both complexes of mTOR, mTORC1 and mTORC2.
Last Modified5 June 2026
Submitter
DownloadsMolfile
FormulaC32H41N9O4
Net Charge0
Average Mass615.739
Monoisotopic Mass615.32815
SMILESCN(C)C1CCN(C(=O)c2ccc(NC(=O)Nc3ccc(-c4nc(N5CCOCC5)nc(N5CCOCC5)n4)cc3)cc2)CC1
InChIInChI=1S/C32H41N9O4/c1-38(2)27-11-13-39(14-12-27)29(42)24-5-9-26(10-6-24)34-32(43)33-25-7-3-23(4-8-25)28-35-30(40-15-19-44-20-16-40)37-31(36-28)41-17-21-45-22-18-41/h3-10,27H,11-22H2,1-2H3,(H2,33,34,43)
InChIKeyDWZAEMINVBZMHQ-UHFFFAOYSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
Gedatolisib (CHEBI:747853) has role antineoplastic agent (CHEBI:35610)
Gedatolisib (CHEBI:747853) is a organic molecular entity (CHEBI:50860)
INN  Source
gedatolisibWHO MedNet
Synonyms  Source
PF-05212384CAS
PKI-587CAS
Registry NumbersSources
CAS:1197160-78-3CAS
Citations