PF-03715455

Ligand id: 8179

Name: PF-03715455

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 13
Topological polar surface area 180.2
Molecular weight 699.19
XLogP 8.26
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[5-tert-butyl-2-(3-chloro-4-hydroxyphenyl)pyrazol-3-yl]-3-[[2-[[3-[2-(2-hydroxyethylsulfanyl)phenyl]-[1,2,4]triazolo[3,4-f]pyridin-6-yl]sulfanyl]phenyl]methyl]urea
Database Links
BindingDB Ligand 50361467
ChEMBL Ligand CHEMBL1938400
PubChem CID 11714580
RCSB PDB Ligand YIS
Search Google for chemical match using the InChIKey VGEXRDWWPSGZDH-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VGEXRDWWPSGZDH
Search UniChem for chemical match using the InChIKey VGEXRDWWPSGZDH-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone VGEXRDWWPSGZDH
Comments
PF-03715455 (aka compound 1ab) is reported as a potent p38 MAP kinase inhibitor [1]. The compound was investigated for clinical efficacy as a potential inhalation therapy for chronic obstructive pulmonary disease (COPD).