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CHEBI:95093 - omipalisib

Default Structure
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:
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).
anticoronaviral agent  Any antiviral agent which inhibits the activity of coronaviruses.
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.
Applications:
radiosensitizing agent  A drug that makes increases the sensitivity of tumour cells to radiation therapy.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
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
2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)pyridin-3-yl]benzenesulfonamidePDBeChem
GSK 212ChemIDplus
GSK-212ChemIDplus
GSK212ChemIDplus
Manual XrefsDatabases
25027388ChemSpider
D10718KEGG DRUG
DB12703DrugBank
ZIGPDBeChem
Registry NumbersSources
CAS:1086062-66-9ChemIDplus
Citations