Ligand id: 6440

Name: AZD6538

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 99.39
Molecular weight 291.06
XLogP 2.52
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Raboisson P, Breitholtz-Emanuelsson A, Dahllöf H, Edwards L, Heaton WL, Isaac M, Jarvie K, Kers A, Minidis AB, Nordmark A et al.. (2012)
Discovery and characterization of AZD9272 and AZD6538-Two novel mGluR5 negative allosteric modulators selected for clinical development.
Bioorg. Med. Chem. Lett., 22 (22): 6974-9. [PMID:23046966]