PIK-III

Ligand id: 9379

Name: PIK-III

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 102.5
Molecular weight 319.15
XLogP 2.34
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine
Comments
PIK-III is a selective inhibitor of VPS34 (PIK3C3) [1]. PIK-III is used as a tool compound to investigate the role of VPS34 in autophagy and cellular homeostasis.
Database Links
GtoPdb PubChem SID 328083481
PubChem CID 67983123
RCSB PDB Ligand 2UG
Search Google for chemical match using the InChIKey XXSDLQLNIVFIJI-UHFFFAOYSA-N
Search Google for chemicals with the same backbone XXSDLQLNIVFIJI
Search UniChem for chemical match using the InChIKey XXSDLQLNIVFIJI-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone XXSDLQLNIVFIJI
SynPHARM 83984 (in complex with phosphatidylinositol 3-kinase catalytic subunit type 3)