L655708   Click here for help

GtoPdb Ligand ID: 4238

Synonyms: L 655708 | L-655,708
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 73.14
Molecular weight 341.14
XLogP 3.28
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCOC(=O)c1ncn2c1C1CCCN1C(=O)c1c2ccc(c1)OC
Isomeric SMILES CCOC(=O)c1ncn2c1C1CCCN1C(=O)c1c2ccc(c1)OC
InChI InChI=1S/C18H19N3O4/c1-3-25-18(23)15-16-14-5-4-8-20(14)17(22)12-9-11(24-2)6-7-13(12)21(16)10-19-15/h6-7,9-10,14H,3-5,8H2,1-2H3
InChI Key YKYOQIXTECBVBB-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 α5 subunit Hs Allosteric modulator Inverse agonist - - -
[Binds to: benzodiazepine site] high affinity