Ligand id: 9000

Name: (R)-ARN2508

Structure and Physico-chemical Properties

2D Structure
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 6.57
No. Lipinski's rules broken 2

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. 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]