dactolisib

Ligand id: 7950

Name: dactolisib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 75.98
Molecular weight 469.19
XLogP 4.92
No. Lipinski's rules broken 0

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
Comments
Dactolisib is an orally bioavailable dual PI3K/mTOR inhibitor with potential antineoplastic activity. It inhibits all of the PI3K isoforms [3] and in addition, it effectively targets ATR with IC50 of 21 nM in cells [1].
Database Links
CAS Registry No. 915019-65-7
ChEMBL Ligand CHEMBL1879463
GtoPdb PubChem SID 249565633
PubChem CID 11977753
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Wikipedia BEZ235