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

No information available.
Summary of Clinical Use
Duvelisib (under its long chemical name (S)-3-(1-(9H-purin-6-ylamino)ethyl)-8-chloro-2-phenylisoquinolin-1(2H)-one) has been granted orphan drug designation by the EMA for the treatment of chronic lymphocytic leukemia (CLL) and by the FDA for CLL and follicular lymphoma. Duvelisib is in Phase III clinical trial in combination with rituximab or vs. rituximab in patients with previously treated follicular lymphoma (NCT02204982) and Phase II for refractory indolent non-Hodgkin's lymphoma (NCT01882803).
Mechanism Of Action and Pharmacodynamic Effects
Phosphoinositide-3 kinase (PI3K)-δ and PI3K-γ are preferentially expressed in immune cells. Inhibitors targeting these isozymes are hypothesized to modulate both the adaptive and innate immune responses, generating an anti-inflammatory effect .