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CHEBI:234113 - WYE-28

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:
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.
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.
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
WYE28ChEBI
WYE 28ChEBI
Registry NumbersSources
CAS:1062172-60-4ChEBI
Citations