gaboxadol   Click here for help

GtoPdb Ligand ID: 4322

Synonyms: LU-02030 | MK-0928 | THIP
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 0
Topological polar surface area 58.03
Molecular weight 140.06
XLogP -0.63
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=c1[nH]oc2c1CCNC2
Isomeric SMILES O=c1[nH]oc2c1CCNC2
InChI InChI=1S/C6H8N2O2/c9-6-4-1-2-7-3-5(4)10-8-6/h7H,1-3H2,(H,8,9)
InChI Key ZXRVKCBLGJOCEE-UHFFFAOYSA-N
References
1. Larsen M, Holm R, Jensen KG, Brodin B, Nielsen CU. (2009)
Intestinal gaboxadol absorption via PAT1 (SLC36A1): modified absorption in vivo following co-administration of L-tryptophan.
Br J Pharmacol, 157 (8): 1380-9. [PMID:19594759]
2. 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]