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 GtoPdb and ChEMBL (where available) across species

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 enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
Fatty acid amide hydrolase Hs 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.