omipalisib

Ligand id: 8974

Name: omipalisib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 115.34
Molecular weight 505.1
XLogP 4.27
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)pyridin-3-yl]benzenesulfonamide
International Nonproprietary Names
INN number INN
9901 omipalisib
Synonyms
GSK 2126458 | GSK-2126458 | GSK2126458
Database Links
ChEMBL Ligand CHEMBL1236962
PubChem CID 25167777
RCSB PDB Ligand ZIG
Search Google for chemical match using the InChIKey CGBJSGAELGCMKE-UHFFFAOYSA-N
Search Google for chemicals with the same backbone CGBJSGAELGCMKE
Search PubMed clinical trials omipalisib
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Search UniChem for chemical match using the InChIKey CGBJSGAELGCMKE-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone CGBJSGAELGCMKE
SynPHARM 83277 (in complex with phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma)
Comments
Omipalisib (GSK2126458) is a potent dual inhibitor of phosphoinositide 3-kinase α (PI3Kα) and the mammalian target of rapamycin (mTOR). It is compound 1 in [1].