Omipalisib
2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide
Molecular Identity
Omipalisib
2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID: 25167777
Omipalisib is 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. It has a role as a radiosensitizing agent, an autophagy inducer, an anticoronaviral agent, an antifibrotic agent, an antineoplastic agent, an EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor and a mTOR inhibitor. It is a member of pyridines, a member of quinolines, a sulfonamide, an aromatic ether, a member of pyridazines and a difluorobenzene.
2D Structure
Properties
C25H17F2N5O3S
Molecular Formula
505.50
Molecular Weight
g/mol
505.1020
Exact Mass
Da
3.3
XLogP
Drug-like (Lipinski: < 5)
115
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
10
H-Bond Acceptors
833
Complexity
SMILES
Canonical SMILES
SMILES: COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)FIsomeric SMILES
SMILES: COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)FSynonyms(20)
Omipalisib1086062-66-9GSK2126458GSK-2126458GSK 21264582,4-difluoro-N-(2-methoxy-5-(4-(pyridazin-4-yl)quinolin-6-yl)pyridin-3-yl)benzenesulfonamideGSK-212GSK2122,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)pyridin-3-yl]benzenesulfonamideomipalisibum1X8F5A3NA0CHEBI:95093DTXSID101486042,4-difluoro-N-(2-(methyloxy)-5-(4-(4-pyridazinyl)-6-quinolinyl)-3-pyridinyl)benzenesulfonamideBenzenesulfonamide, 2,4-difluoro-N-(2-methoxy-5-(4-(4-pyridazinyl)-6-quinolinyl)-3-pyridinyl)-
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Omipalisib
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