compound 33 [Toda et al., 2013]

Ligand id: 8791

Name: compound 33 [Toda et al., 2013]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 102.99
Molecular weight 438.25
XLogP 1.1
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-(ethoxymethyl)-N-[(3-methylimidazol-4-yl)methyl]-1-(5-methyl-4-piperidin-1-ylpyrimidin-2-yl)pyrazole-4-carboxamide
Database Links
ChEMBL Ligand CHEMBL2409007
PubChem CID 60207864
Search Google for chemical match using the InChIKey ATOKVTDUHKZLMB-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ATOKVTDUHKZLMB
Search UniChem for chemical match using the InChIKey ATOKVTDUHKZLMB-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ATOKVTDUHKZLMB
Comments
Compound 33 is reported as a GPR142 agonist and provides evidence to support the hypothesis that GPR142 agonists act as insulin secretagogues, which could eventually lead to the discovery of novel treatments for type 2 diabetes mellitus [1].