lesogaberan   Click here for help

GtoPdb Ligand ID: 7705

Synonyms: AZD-3355 | AZD3355
Compound class: Synthetic organic
Comment: Lesogaberan is an agonist of gamma-aminobutyric acid receptor B (GABAB). This was an investigational compound tested for potential to treat gastroesophageal reflux disease (GERD). This compound is now included in AstaZeneca's Open Innovation Pharmacology Toolbox.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 86.79
Molecular weight 141.04
XLogP -1.12
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES NCC(CP(=O)O)F
Isomeric SMILES NC[C@H](CP(=O)O)F
InChI InChI=1S/C3H9FNO2P/c4-3(1-5)2-8(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m1/s1
InChI Key LJNUIEQATDYXJH-GSVOUGTGSA-N
References
1. AstraZeneca. 
Lesogaberan (AZD3355).
Accessed on 11/09/2014. Modified on 11/09/2014. astrazeneca.com, http://openinnovation.astrazeneca.com/what-we-offer/compound/azd3355-lesogaberan/