compound 52 [PMID: 28541707]

Ligand id: 10001

Name: compound 52 [PMID: 28541707]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 120.62
Molecular weight 471.16
XLogP 2.27
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Comments
Compound 52 is reported as a potent and selective PI3Kδ inhibitor [2].
Database Links
GtoPdb PubChem SID 374883888
PubChem CID 132220479
Search Google for chemical match using the InChIKey ZDXIDBRGTYDHBQ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ZDXIDBRGTYDHBQ
Search UniChem for chemical match using the InChIKey ZDXIDBRGTYDHBQ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ZDXIDBRGTYDHBQ