compound 12 [PMID: 22521646]

Ligand id: 8125

Name: compound 12 [PMID: 22521646]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 59.29
Molecular weight 364.17
XLogP 4.41
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-cyclopropyl-3-fluoro-4-methyl-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide
Database Links
BindingDB Ligand 50420761
ChEMBL Ligand CHEMBL2087507
PubChem CID 25060878
Search Google for chemical match using the InChIKey REGFSKAVJRCHTE-UHFFFAOYSA-N
Search Google for chemicals with the same backbone REGFSKAVJRCHTE
Search UniChem for chemical match using the InChIKey REGFSKAVJRCHTE-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone REGFSKAVJRCHTE
Comments
Compound 12 is a p38α (MAPK14) inhibitor [1].