LAU159   Click here for help

GtoPdb Ligand ID: 12404

Synonyms: compound 16 [PMID: 23472852] | LAU 159 | LAU-159
Compound class: Synthetic organic
Comment: LAU159 is an allosteric modulator of GABAA receptors [3-4].
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 59.39
Molecular weight 325.06
XLogP 4.97
No. Lipinski's rules broken 0
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Canonical SMILES COc1cccc(c1)n1nc2c(c1=O)c[nH]c1c2cc(Cl)cc1
Isomeric SMILES Clc1cc2c3c(c[nH]c2cc1)c(=O)n(n3)c1cc(ccc1)OC
InChI InChI=1S/C17H12ClN3O2/c1-23-12-4-2-3-11(8-12)21-17(22)14-9-19-15-6-5-10(18)7-13(15)16(14)20-21/h2-9,19H,1H3
1. Sieghart W, Chiou LC, Ernst M, Fabjan J, M Savic; M, Lee MT. (2022)
α 6-Containing GABAA Receptors: Functional Roles and Therapeutic Potentials.
Pharmacol Rev, 74 (1): 238-270. [PMID:35017178]
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]
3. Treven M, Siebert DCB, Holzinger R, Bampali K, Fabjan J, Varagic Z, Wimmer L, Steudle F, Scholze P, Schnürch M et al.. (2018)
Towards functional selectivity for α6β3γ2 GABAA receptors: a series of novel pyrazoloquinolinones.
Br J Pharmacol, 175 (3): 419-428. [PMID:29127702]
4. Varagic Z, Wimmer L, Schnürch M, Mihovilovic MD, Huang S, Rallapalli S, Cook JM, Mirheydari P, Ecker GF, Sieghart W et al.. (2013)
Identification of novel positive allosteric modulators and null modulators at the GABAA receptor α+β- interface.
Br J Pharmacol, 169 (2): 371-83. [PMID:23472852]