Ligand id: 8999

Name: (S)-ARN2508

Structure and Physico-chemical Properties

2D Structure
Click here for structure editor
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 75.63
Molecular weight 387.18
XLogP 5.68
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. DE Vivi M, Scaparelli R, Cavalli A, Migliore M, Piomelli D, Habrant D, Favia. (2014)
Multitarget FAAH and COX inhibitors and therapeutical uses thereof.
Patent number: WO2014023643 A1. Assignee: Fondazione Istituto Italiano Di Tecnologia. Priority date: 06/08/2012. Publication date: 13/02/2014.
2. Grim TW, Ghosh S, Hsu KL, Cravatt BF, Kinsey SG, Lichtman AH. (2014)
Combined inhibition of FAAH and COX produces enhanced anti-allodynic effects in mouse neuropathic and inflammatory pain models.
Pharmacol. Biochem. Behav., 124: 405-11. [PMID:25058512]
3. Migliore M, Habrant D, Sasso O, Albani C, Bertozzi SM, Armirotti A, Piomelli D, Scarpelli R. (2016)
Potent multitarget FAAH-COX inhibitors: Design and structure-activity relationship studies.
Eur J Med Chem, 109: 216-37. [PMID:26774927]
4. Palermo G, Favia AD, Convertino M, De Vivo M. (2016)
The Molecular Basis for Dual Fatty Acid Amide Hydrolase (FAAH)/Cyclooxygenase (COX) Inhibition.
ChemMedChem, 11 (12): 1252-8. [PMID:26593700]
5. Sasso O, Migliore M, Habrant D, Armirotti A, Albani C, Summa M, Moreno-Sanz G, Scarpelli R, Piomelli D. (2015)
Multitarget fatty acid amide hydrolase/cyclooxygenase blockade suppresses intestinal inflammation and protects against nonsteroidal anti-inflammatory drug-dependent gastrointestinal damage.
FASEB J., 29 (6): 2616-27. [PMID:25757568]