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GtoPdb Ligand ID: 1080

Synonyms: CGP 35024 | CGP35024 | SK&F 97541 | SKF 97541 | SKF-97,541
PDB Ligand
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 73.13
Molecular weight 137.06
XLogP -0.74
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NCCCP(=O)(O)C
Isomeric SMILES NCCCP(=O)(O)C
InChI InChI=1S/C4H12NO2P/c1-8(6,7)4-2-3-5/h2-5H2,1H3,(H,6,7)
InChI Key NHVRIDDXGZPJTJ-UHFFFAOYSA-N
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. Wood MD, Murkitt KL, Rice SQ, Testa T, Punia PK, Stammers M, Jenkins O, Elshourbagy NA, Shabon U, Taylor SJ et al.. (2000)
The human GABA(B1b) and GABA(B2) heterodimeric recombinant receptor shows low sensitivity to phaclofen and saclofen.
Br. J. Pharmacol., 131 (6): 1050-4. [PMID:11082110]