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CHEBI:234113 - WYE-28

Default Structure
ChEBI IDCHEBI:234113
ChEBI NameWYE-28
Stars
DefinitionA pyrazolopyrimidine that is 1H-pyrazolo[3,4-d]pyrimidine substituted by 1-(methoxycarbonyl)piperidin-4-yl, morpholin-4-yl and 4-({[4-(hydroxymethyl)phenyl]carbamoyl}amino)phenyl groups at positions 1, 4, and 6, respectively. It is a potent inhibitor of mTOR (IC50 = 0.08 nM) and PI3Kα (IC50 = 6 nM).
Last Modified25 April 2025
SubmitterFlyBase
DownloadsMolfile
FormulaC30H34N8O5
Net Charge0
Average Mass586.653
Monoisotopic Mass586.26522
SMILESCOC(=O)N1CCC(n2ncc3c(N4CCOCC4)nc(-c4ccc(NC(=O)Nc5ccc(CO)cc5)cc4)nc32)CC1
InChIInChI=1S/C30H34N8O5/c1-42-30(41)37-12-10-24(11-13-37)38-28-25(18-31-38)27(36-14-16-43-17-15-36)34-26(35-28)21-4-8-23(9-5-21)33-29(40)32-22-6-2-20(19-39)3-7-22/h2-9,18,24,39H,10-17,19H2,1H3,(H2,32,33,40)
InChIKeyDLIGFKRUAOAIBA-UHFFFAOYSA-N
Roles Classification
Biological Roles:
mTOR inhibitor  A protein kinase inhibitor of the mammalian target of rapamycin (mTOR), a protein that regulates cell growth, cell proliferation, cell motility, cell survival, protein synthesis and transcription. mTOR inhibitors are used to prevent transplant rejection and in treatment of cancer.
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)
WYE-28 (CHEBI:234113) has role antineoplastic agent (CHEBI:35610)
WYE-28 (CHEBI:234113) has role EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor (CHEBI:50914)
WYE-28 (CHEBI:234113) has role mTOR inhibitor (CHEBI:68481)
WYE-28 (CHEBI:234113) is a aromatic primary alcohol (CHEBI:33857)
WYE-28 (CHEBI:234113) is a benzyl alcohols (CHEBI:22743)
WYE-28 (CHEBI:234113) is a carbamate ester (CHEBI:23003)
WYE-28 (CHEBI:234113) is a morpholines (CHEBI:38785)
WYE-28 (CHEBI:234113) is a phenylureas (CHEBI:134043)
WYE-28 (CHEBI:234113) is a piperidinecarboxylate ester (CHEBI:48630)
WYE-28 (CHEBI:234113) is a pyrazolopyrimidine (CHEBI:38669)
IUPAC Name 
methyl 4-{6-[4-({[4-(hydroxymethyl)phenyl]carbamoyl}amino)phenyl]-4-(morpholin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl}piperidine-1-carboxylate
Synonyms  Source
methyl 4-[6-[4-[[4-(hydroxymethyl)phenyl]carbamoylamino]phenyl]-4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylateSUBMITTER
mTOR inhibitor WYE-28SUBMITTER
WYE 28ChEBI
WYE28ChEBI
Registry NumbersSources
CAS:1062172-60-4ChEBI
Citations