RY024   Click here for help

GtoPdb Ligand ID: 4301

Synonyms: RY 024 | RY-024
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 3
Topological polar surface area 63.91
Molecular weight 337.14
XLogP 4.13
No. Lipinski's rules broken 0

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

SMILES / InChI / InChIKey
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Canonical SMILES C#Cc1ccc2c(c1)C(=O)N(C)Cc1n2cnc1C(=O)OC(C)(C)C
Isomeric SMILES C#Cc1ccc2c(c1)C(=O)N(C)Cc1n2cnc1C(=O)OC(C)(C)C
InChI InChI=1S/C19H19N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h1,7-9,11H,10H2,2-5H3
InChI Key YTUMMZANIYQNOM-UHFFFAOYSA-N

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

Selectivity at ion channels
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
GABAA receptor α5 subunit Hs Allosteric modulator Inverse agonist - - - 1
[Binds to: benzodiazepine site] high affinity, partially selective [1]