duvelisib

Ligand id: 7795

Name: duvelisib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 86.8
Molecular weight 416.12
XLogP 4.95
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(S)-3-(1-((9H-purin-6-yl)amino)ethyl)-8-chloro-2-phenylisoquinolin-1(2H)-one
International Nonproprietary Names
INN number INN
9856 duvelisib
Synonyms
compound 4904 [Patent US8193182] [1] | INK-1197 | IPI-145
Database Links
CAS Registry No. 1201438-56-3
ChEMBL Ligand CHEMBL3039502
PubChem CID 50905713
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Comments
Duvelisib is a selective inhibitor of phosphoinositide-3 kinase (PI3K)-δ and PI3K-γ [3].