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
Transporters Moving this Compound Across a Lipid Membrane
Transporter EC number Reaction Reference
Proton-coupled Amino acid Transporter 1 1-2
Selectivity at ion channels
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
GABAA receptor α1 subunit Hs Agonist Agonist - - -
[Binds to: GABA site]
GABAA receptor α2 subunit Hs Agonist Agonist - - -
[Binds to: GABA site]
GABAA receptor α3 subunit Hs Agonist Agonist - - -
[Binds to: GABA site]
GABAA receptor α4 subunit Hs Agonist Agonist - - -
[Binds to: GABA site]
GABAA receptor α5 subunit Hs Agonist Agonist - - -
[Binds to: GABA site]
GABAA receptor α6 subunit Hs Agonist Agonist - - -
[Binds to: GABA site]
GABAA receptor δ subunit Hs Agonist Full agonist - - -
[Binds to: GABA site]
GABAA receptor ρ1 subunit Hs Antagonist Antagonist - - -
[Binds to: GABA site]
GABAA receptor ρ2 subunit Hs Antagonist Antagonist - - -
[Binds to: GABA site]
GABAA receptor ρ3 subunit Hs Antagonist Antagonist - - -
[Binds to: GABA site]
Ligand mentioned in the following text fields