compound 12 [PMID: 22521646]

Ligand id: 8125

Name: compound 12 [PMID: 22521646]

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

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
GtoPdb PubChem SID	249565805
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].

Comments

Compound 12 is a p38α (MAPK14) inhibitor [1].