p38 MAP kinase inhibitor III

Ligand id: 6014

Name: p38 MAP kinase inhibitor III

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 78.9
Molecular weight 404.15
XLogP 7.17
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[5-(4-fluorophenyl)-2-(methylsulfanyl)-1H-imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine
Synonyms
ML-3403 | ML3403
Database Links
CAS Registry No. 581098-48-8
ChEMBL Ligand CHEMBL111364
PubChem CID 6419739
Search Google for chemical match using the InChIKey VXPWQNBKEIVYIS-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VXPWQNBKEIVYIS
Search UniChem for chemical match using the InChIKey VXPWQNBKEIVYIS-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone VXPWQNBKEIVYIS
Comments
This is compound 7e in [3].