S-deschloroketamine   Click here for help

GtoPdb Ligand ID: 11720

Synonyms: S-DCK
Compound class: Synthetic organic
Comment: This is the S enantiomer of the ketamine analogue deschloroketamine (DCK). The pharmacodynamics and pharmacokinetics of S-DCK (in rats) in comparision to ketamine were reported by Štefková-Mazochová et al. (2021) [1]. In summary, S-DCK exhibits similar behavioural, addictive and PK profiles as ketamine, but it has a longer duration of action.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 29.1
Molecular weight 203.13
XLogP 2.26
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CNC1(CCCCC1=O)c1ccccc1
Isomeric SMILES CNC1(CCCCC1=O)c1ccccc1
InChI InChI=1S/C13H17NO/c1-14-13(10-6-5-9-12(13)15)11-7-3-2-4-8-11/h2-4,7-8,14H,5-6,9-10H2,1H3
InChI Key ZAGBSZSITDFFAF-UHFFFAOYSA-N
Selectivity at ion channels
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
GluN2B Hs Antagonist Antagonist 5.4 pKd - 1
pKd 5.4 (Kd 3.6x10-6 M) [1]
Description: Binding affinity for hGluN1/hGluN2B receptors expressed in HEK293 cells