DS2   Click here for help

GtoPdb Ligand ID: 4184

Synonyms: delta selective compound 2 [1]
Compound class: Synthetic organic
Comment: DS2 is a selective agonist of δ2-containing GABAA receptors [1].
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 74.64
Molecular weight 353.04
XLogP 4.98
No. Lipinski's rules broken 0
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Canonical SMILES Clc1ccc(cc1)C(=O)Nc1c(nc2n1cccc2)c1cccs1
Isomeric SMILES Clc1ccc(cc1)C(=O)Nc1c(nc2n1cccc2)c1cccs1
InChI InChI=1S/C18H12ClN3OS/c19-13-8-6-12(7-9-13)18(23)21-17-16(14-4-3-11-24-14)20-15-5-1-2-10-22(15)17/h1-11H,(H,21,23)
1. Jensen ML, Wafford KA, Brown AR, Belelli D, Lambert JJ, Mirza NR. (2013)
A study of subunit selectivity, mechanism and site of action of the delta selective compound 2 (DS2) at human recombinant and rodent native GABA(A) receptors.
Br J Pharmacol, 168 (5): 1118-32. [PMID:23061935]
2. Sieghart W, Savić MM. (2018)
International Union of Basic and Clinical Pharmacology. CVI: GABAA Receptor Subtype- and Function-selective Ligands: Key Issues in Translation to Humans.
Pharmacol Rev, 70 (4): 836-878. [PMID:30275042]