compound 21 [PMID: 22802221]

Ligand id: 6918

Name: compound 21 [PMID: 22802221]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 12
Topological polar surface area 126.91
Molecular weight 475.16
XLogP 5.54
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
butyl N-[3-[4-(imidazol-1-ylmethyl)phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate
Synonyms
C21
Database Links
ChEMBL Ligand CHEMBL189568
GtoPdb PubChem SID 178103500
PubChem CID 9804984
Search Google for chemical match using the InChIKey XTEOJPUYZWEXFI-UHFFFAOYSA-N
Search Google for chemicals with the same backbone XTEOJPUYZWEXFI
Search UniChem for chemical match using the InChIKey XTEOJPUYZWEXFI-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone XTEOJPUYZWEXFI
Comments
C21 prevented TNF╬▒-induced and HFD-induced vascular inflammation in vitro and in vivo, indicating that the anti-atherosclerotic actions of were due to vascular anti-inflammatory effects, mediated by AT2 receptors [1] .