3-APPA

Ligand id: 1081

Name: 3-APPA

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 63.32
Molecular weight 122.04
XLogP -1.27
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Froestl W, Mickel SJ. (1997)
Chemistry of GABAB modulators.  in  The GABA Receptors
Edited by Enna SJ, Bowery NG Humana Press. 271-296  [ISBN:0896034585]
2. Hirst WD, Babbs AJ, Green A, Minton JA, Shaw TE, Wise A, Rice SQ, Pangalos MN, Price GW. (2003)
Pharmacological characterisation of a cell line expressing GABA B1b and GABA B2 receptor subunits.
Biochem Pharmacol.65: 1103-1113. [PMID:12663046]
3. Kaupmann K, Huggel K, Heid J, Flor PJ, Bischoff S, Mickel SJ, McMaster G, Angst C, Bittiger H, Froestl W, Bettler B. (1997)
Expression cloning of GABAB receptors uncovers similarity to metabotropic glutamate receptors.
Nature386: 239-246. [PMID:9069281]