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CHEBI:95093 - omipalisib

ChEBI IDCHEBI:95093
ChEBI Nameomipalisib
Stars
DefinitionA member of the class of quinolines that is quinoline which is substituted by pyridazin-4-yl and 5-[(2,4-difluorobenzene-1-sulfonyl)amino]-6-methoxypyridin-3-yl groups at positions 4 and 6, respectively. It is a highly potent inhibitor of PI3K and mTOR developed by GlaxoSmithKline and was previously in human phase 1 clinical trials for the treatment of idiopathic pulmonary fibrosis and solid tumors.
Last Modified3 February 2025
DownloadsMolfile
FormulaC25H17F2N5O3S
Net Charge0
Average Mass505.506
Monoisotopic Mass505.10202
SMILESCOc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3
InChIKeyCGBJSGAELGCMKE-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.
anticoronaviral agent  Any antiviral agent which inhibits the activity of coronaviruses.
autophagy inducer  Any compound that induces the process of autophagy (the self-digestion of one or more components of a cell through the action of enzymes originating within the same cell).
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.
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
radiosensitizing agent  A drug that makes increases the sensitivity of tumour cells to radiation therapy.
antifibrotic agent  Any agent which acts to reduce fibrosis.
ChEBI Ontology
Outgoing Relation(s)
omipalisib (CHEBI:95093) has role anticoronaviral agent (CHEBI:149553)
omipalisib (CHEBI:95093) has role antifibrotic agent (CHEBI:233423)
omipalisib (CHEBI:95093) has role antineoplastic agent (CHEBI:35610)
omipalisib (CHEBI:95093) has role autophagy inducer (CHEBI:138880)
omipalisib (CHEBI:95093) has role EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor (CHEBI:50914)
omipalisib (CHEBI:95093) has role mTOR inhibitor (CHEBI:68481)
omipalisib (CHEBI:95093) has role radiosensitizing agent (CHEBI:132992)
omipalisib (CHEBI:95093) is a aromatic ether (CHEBI:35618)
omipalisib (CHEBI:95093) is a difluorobenzene (CHEBI:38582)
omipalisib (CHEBI:95093) is a pyridazines (CHEBI:37921)
omipalisib (CHEBI:95093) is a pyridines (CHEBI:26421)
omipalisib (CHEBI:95093) is a quinolines (CHEBI:26513)
omipalisib (CHEBI:95093) is a sulfonamide (CHEBI:35358)
IUPAC Name 
2,4-difluoro-N-{2-methoxy-5-[4-(pyridazin-4-yl)quinolin-6-yl]pyridin-3-yl}benzenesulfonamide
INNs  Source
omipalisibWHO MedNet
omipalisibWHO MedNet
omipalisibWHO MedNet
omipalisibumWHO MedNet
Synonyms  Source
2,4-difluoro-N-[2-methoxy-5-[4-(4-pyridazinyl)-6-quinolinyl]-3-pyridinyl]benzenesulfonamideChEBI
2,4-difluoro-N-{2-methoxy-5-[4-(pyridazin-4-yl)quinolin-6-yl]pyridin-3-yl}benzene-1-sulfonamideIUPAC
GSK2126458ChemIDplus
GSK 2126458ChemIDplus
GSK-2126458ChemIDplus
GSK212ChemIDplus
Manual XrefsDatabases
DB12703DrugBank
D10718KEGG DRUG
25027388ChemSpider
ZIGPDBeChem
Registry NumbersSources
CAS:1086062-66-9ChemIDplus
Citations