p38 MAP kinase inhibitor

Ligand id: 6013

Name: p38 MAP kinase inhibitor

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 45.23
Molecular weight 365.07
XLogP 5.77
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-(4-chlorophenyl)-4-(4-fluorophenyl)-5-(pyridin-4-yl)-2,3-dihydro-1H-pyrazol-3-one
Synonyms
compound 6 [PMID: 9873604] [2]
Database Links
CAS Registry No. 219138-24-6
ChEMBL Ligand CHEMBL91730
PubChem CID 4665
Search Google for chemical match using the InChIKey DZFBYHUKZSRPHU-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DZFBYHUKZSRPHU
Search UniChem for chemical match using the InChIKey DZFBYHUKZSRPHU-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DZFBYHUKZSRPHU
Comments
Please note that ChEMBL represents this compound as a tautomer of our structure.