dactolisib

Ligand id: 7950

Name: dactolisib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 73.12
Molecular weight 469.19
XLogP 5.89
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile
International Nonproprietary Names
INN number INN
9545 dactolisib
Synonyms
BEZ235 | NVP-BEZ235
Database Links
CAS Registry No. 915019-65-7
ChEMBL Ligand CHEMBL1879463
GtoPdb PubChem SID 249565633
PubChem CID 11977753
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Wikipedia BEZ235
Comments
Dactolisib is an orally bioavailable phosphatidylinositol 3-kinase (PI3K) inhibitor with potential antineoplastic activity. It inhibits the α, β, γ and δ PI3K isoforms, and also inhibits mTOR [2].