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
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).
Database Links
BindingDB Ligand 50361467
ChEMBL Ligand CHEMBL1938400
GtoPdb PubChem SID 249565859
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