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

1. Janero DR, Vadivel SK, Makriyannis A. (2009)
Pharmacotherapeutic modulation of the endocannabinoid signalling system in psychiatric disorders: drug-discovery strategies.
Int Rev Psychiatry, 21 (2): 122-33. [PMID:19367506]
2. Johnson DS, Stiff C, Lazerwith SE, Kesten SR, Fay LK, Morris M, Beidler D, Liimatta MB, Smith SE, Dudley DT et al.. (2011)
Discovery of PF-04457845: A Highly Potent, Orally Bioavailable, and Selective Urea FAAH Inhibitor.
ACS Med Chem Lett, 2 (2): 91-96. [PMID:21666860]
3. Pertwee RG. (2014)
Elevating endocannabinoid levels: pharmacological strategies and potential therapeutic applications.
Proc Nutr Soc, 73 (1): 96-105. [PMID:24135210]
4. SaƂaga M, Sobczak M, Fichna J. (2014)
Inhibition of fatty acid amide hydrolase (FAAH) as a novel therapeutic strategy in the treatment of pain and inflammatory diseases in the gastrointestinal tract.
Eur J Pharm Sci, 52: 173-9. [PMID:24275607]
5. van Esbroeck ACM, Janssen APA, Cognetta 3rd AB, Ogasawara D, Shpak G, van der Kroeg M, Kantae V, Baggelaar MP, de Vrij FMS, Deng H et al.. (2017)
Activity-based protein profiling reveals off-target proteins of the FAAH inhibitor BIA 10-2474.
Science, 356 (6342): 1084-1087. [PMID:28596366]