VPS34-IN-1

Ligand id: 9378

Name: VPS34-IN-1

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 108.74
Molecular weight 425.17
XLogP 3.38
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[[5-[2-[(2-chloropyridin-4-yl)amino]pyrimidin-4-yl]-4-(cyclopropylmethyl)pyrimidin-2-yl]amino]-2-methylpropan-2-ol
Synonyms
example 16a [US8685993] | VPS34-IN1
Database Links
PubChem CID 57404276
Search Google for chemical match using the InChIKey AWNXKZVIZARMME-UHFFFAOYSA-N
Search Google for chemicals with the same backbone AWNXKZVIZARMME
Search UniChem for chemical match using the InChIKey AWNXKZVIZARMME-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone AWNXKZVIZARMME
Comments
An inhibitor of the lipid kinase VPS34 (PIK3C3). VPS34-IN-1 is claimed as example 16a in patent US8685993 [1], which suggests that VPS34 inhibitors could be of use in treating hyperproliferative diseases characterized by hyperactivity of Vps34.