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
Database Links
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)
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.