alpelisib

Ligand id: 7955

Name: alpelisib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 129.45
Molecular weight 441.14
XLogP 3.13
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-1-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
International Nonproprietary Names
INN number INN
9833 alpelisib
Synonyms
BYL 719 | BYL-719 | NVP-BYL719
Database Links
CAS Registry No. 1217486-61-7
ChEMBL Ligand CHEMBL2396661
PubChem CID 56649450
RCSB PDB Ligand 1LT
Search Google for chemical match using the InChIKey STUWGJZDJHPWGZ-LBPRGKRZSA-N
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Search UniChem for chemical match using the InChIKey STUWGJZDJHPWGZ-LBPRGKRZSA-N
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Comments
Alpelisib is an orally bioavailable phosphatidylinositol 3-kinase (PI3K) inhibitor with potential antineoplastic activity. The inhibitor is selective for the α isoform.