vigabatrin

Ligand id: 4821

Name: vigabatrin

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 63.32
Molecular weight 129.08
XLogP 0.05
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Abbot EL, Grenade DS, Kennedy DJ, Gatfield KM, Thwaites DT. (2006)
Vigabatrin transport across the human intestinal epithelial (Caco-2) brush-border membrane is via the H+ -coupled amino-acid transporter hPAT1.
Br. J. Pharmacol.147 (3): 298-306. [PMID:16331283]
2. Lippert B, Metcalf BW, Jung MJ, Casara P. (1977)
4-amino-hex-5-enoic acid, a selective catalytic inhibitor of 4-aminobutyric-acid aminotransferase in mammalian brain.
Eur. J. Biochem.74 (3): 441-5. [PMID:856582]
3. McIntire SL, Reimer RJ, Schuske K, Edwards RH, Jorgensen EM. (1997)
Identification and characterization of the vesicular GABA transporter.
Nature389 (6653): 870-6. [PMID:9349821]
4. Silverman RB. (2012)
The 2011 E. B. Hershberg award for important discoveries in medicinally active substances: (1S,3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115), a GABA aminotransferase inactivator and new treatment for drug addiction and infantile spasms.
J. Med. Chem.55 (2): 567-75. [PMID:22168767]
5. Thwaites DT, Anderson CM. (2011)
The SLC36 family of proton-coupled amino acid transporters and their potential role in drug transport.
Br. J. Pharmacol.164 (7): 1802-16. [PMID:21501141]