gabazine   

GtoPdb Ligand ID: 4197

Synonyms: SR-95531 | SR95531
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 88.2
Molecular weight 287.13
XLogP 3.67
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES COc1ccc(cc1)c1ccc(=N)n(n1)CCCC(=O)O
Isomeric SMILES COc1ccc(cc1)c1ccc(=N)n(n1)CCCC(=O)O
InChI InChI=1S/C15H17N3O3/c1-21-12-6-4-11(5-7-12)13-8-9-14(16)18(17-13)10-2-3-15(19)20/h4-9,16H,2-3,10H2,1H3,(H,19,20)
InChI Key ACVGNKYJVGNLIL-UHFFFAOYSA-N
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 Antagonist Antagonist - - -
[Binds to: GABA site]
GABAA receptor α2 subunit Hs Antagonist Antagonist - - -
[Binds to: GABA site]
GABAA receptor α3 subunit Hs Antagonist Antagonist - - -
[Binds to: GABA site]
GABAA receptor α4 subunit Hs Antagonist Antagonist - - -
[Binds to: GABA site]
GABAA receptor α5 subunit Hs Antagonist Antagonist - - -
[Binds to: GABA site]
GABAA receptor α6 subunit Hs Antagonist Antagonist - - -
[Binds to: GABA site]
Ligand mentioned in the following text fields