CHEBI:95093 - omipalisib

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ChEBI Name omipalisib
ChEBI ID CHEBI:95093
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C25H17F2N5O3S
Net Charge 0
Average Mass 505.500
Monoisotopic Mass 505.10202
InChI InChI=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
InChIKey CGBJSGAELGCMKE-UHFFFAOYSA-N
SMILES COC1=C(NS(=O)(=O)C2=CC=C(F)C=C2F)C=C(C=N1)C1=CC2=C(C=CN=C2C=C1)C1=CN=NC=C1
Roles Classification
Biological Role(s): 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.
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.
Application(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing omipalisib (CHEBI:95093) has role anticoronaviral agent (CHEBI:149553)
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 Sources
omipalisib WHO MedNet
omipalisib WHO MedNet
omipalisib WHO MedNet
omipalisibum WHO MedNet
Synonyms Sources
2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)pyridin-3-yl]benzenesulfonamide PDBeChem
2,4-difluoro-N-[2-methoxy-5-[4-(4-pyridazinyl)-6-quinolinyl]-3-pyridinyl]benzenesulfonamide ChEBI
2,4-difluoro-N-{2-methoxy-5-[4-(pyridazin-4-yl)quinolin-6-yl]pyridin-3-yl}benzene-1-sulfonamide IUPAC
GSK 212 ChemIDplus
GSK 2126458 ChemIDplus
GSK 458 ChEBI
GSK-212 ChemIDplus
GSK-2126458 ChemIDplus
GSK-458 ChEBI
GSK212 ChemIDplus
GSK2126458 ChemIDplus
GSK458 ChEBI
Manual Xrefs Databases
25027388 ChemSpider
D10718 KEGG DRUG
DB12703 DrugBank
ZIG PDBeChem
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Registry Number Type Source
1086062-66-9 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
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Last Modified
13 May 2022