compound 3 [PMID: 12470711]

Ligand id: 6364

Name: compound 3 [PMID: 12470711]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 68.39
Molecular weight 295.18
XLogP 3.62
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Micheli F, Fabio RD, Cavanni P, Rimland JM, Capelli AM, Chiamulera C, Corsi M, Corti C, Donati D, Feriani A, Ferraguti F, Maffeis M, Missio A, Ratti E, Paio A, Pachera R, Quartaroli M, Reggiani A, Sabbatini FM, Trist DG, Ugolini A, Vitulli G. (2003)
Synthesis and pharmacological characterisation of 2,4-dicarboxy-pyrroles as selective non-competitive mGluR1 antagonists.
Bioorg Med Chem11: 171-183. [PMID:12470711]