Ligand id: 6694

Name: PF-04457845

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 80.24
Molecular weight 455.16
XLogP 5.66
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Bioactivity Comments
Inhibits FAAH by covalent, irreversible carbamylation of the active-site serine nucleophile of FAAH [2]. PF-04457845 shows some off-target inhibition of FAAH2, but does not inhibit other proteins of the endocannabinoid system, or endocannabinoid-binding transient receptor potential (TRP) ion channels [5].
Selectivity at Human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
Fatty acid amide hydrolase Inhibitor Inhibition 8.0 – 9.0 pIC50 - 2,5
pIC50 8.0 – 9.0 (IC50 1x10-8 – 1x10-9 M) [2,5]
Description: Inhibition of human FAAH in vitro.