PI-3065

Ligand id: 8242

Name: PI-3065

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 88.76
Molecular weight 506.23
XLogP 2.62
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[6-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-(5-fluoro-1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
Synonyms
PI 3065
Database Links
CAS Registry No. 955977-50-1
PubChem CID 24937012
Search Google for chemical match using the InChIKey YDNOHCOYQVZOMC-UHFFFAOYSA-N
Search Google for chemicals with the same backbone YDNOHCOYQVZOMC
Search UniChem for chemical match using the InChIKey YDNOHCOYQVZOMC-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone YDNOHCOYQVZOMC
Comments
PI-3065 is reported as a selective inhibitor of phosphatidylinositol 3-kinase (PI3K) δ [1]. The compound is >70 fold selective for PI3Kδ compared to PI3Kβ, and has even higher selectivity compared to the δ and α isoforms. In a profile screening set of 72 kinases no significant off-targets were identified [1].