duvelisib

Ligand id: 7795

Name: duvelisib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 87.97
Molecular weight 416.12
XLogP 5.17
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2018))
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] [10] | Copiktra® | INK-1197 | IPI-145
Comments
Duvelisib is an orally active, dual inhibitor of phosphoinositide-3 kinase (PI3K)-δ and PI3K-γ [14]. It was developed for the treatment of advanced hematolgical malignancies including CLL, SLL and FL [8,11-12].
Database Links
CAS Registry No. 1201438-56-3
ChEMBL Ligand CHEMBL3039502
GtoPdb PubChem SID 223366126
PubChem CID 50905713
Search Google for chemical match using the InChIKey SJVQHLPISAIATJ-ZDUSSCGKSA-N
Search Google for chemicals with the same backbone SJVQHLPISAIATJ
Search PubMed clinical trials duvelisib
Search PubMed titles duvelisib
Search PubMed titles/abstracts duvelisib
Search UniChem for chemical match using the InChIKey SJVQHLPISAIATJ-ZDUSSCGKSA-N
Search UniChem for chemicals with the same backbone SJVQHLPISAIATJ