VPC171

Ligand id: 8895

Name: VPC171

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 71.33
Molecular weight 347.06
XLogP 7.27
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[2-amino-4-[3-(trifluoromethyl)phenyl]thiophen-3-yl]-phenylmethanone
Database Links
ChEMBL Ligand CHEMBL404477
PubChem CID 24873485
Search Google for chemical match using the InChIKey HNHLVOBHWXLIGP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone HNHLVOBHWXLIGP
Search UniChem for chemical match using the InChIKey HNHLVOBHWXLIGP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone HNHLVOBHWXLIGP
Comments
VPC171 is a positive allosteric modulator (PAM) of the adenosine A1 receptor (A1R). It is compound 9a in Aurelio et al. (2009) [1]. PAMs of the A1R are being investigated as a novel treatment approach for neuropathic pain [2].