AC265347   Click here for help

GtoPdb Ligand ID: 3947

Synonyms: AC 265347 | AC-265347
Compound class: Synthetic organic
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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 61.36
Molecular weight 283.1
XLogP 3.72
No. Lipinski's rules broken 0
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Canonical SMILES Cc1ccc(c(c1)C)C(c1nc2c(s1)cccc2)(O)C
Isomeric SMILES Cc1ccc(c(c1)C)C(c1nc2c(s1)cccc2)(O)C
InChI InChI=1S/C17H17NOS/c1-11-8-9-13(12(2)10-11)17(3,19)16-18-14-6-4-5-7-15(14)20-16/h4-10,19H,1-3H3
1. Cook AE, Mistry SN, Gregory KJ, Furness SG, Sexton PM, Scammells PJ, Conigrave AD, Christopoulos A, Leach K. (2015)
Biased allosteric modulation at the CaS receptor engendered by structurally diverse calcimimetics.
Br J Pharmacol, 172 (1): 185-200. [PMID:25220431]
2. Leach K, Gregory KJ, Kufareva I, Khajehali E, Cook AE, Abagyan R, Conigrave AD, Sexton PM, Christopoulos A. (2016)
Towards a structural understanding of allosteric drugs at the human calcium-sensing receptor.
Cell Res, 26 (5): 574-92. [PMID:27002221]
3. Ma JN, Owens M, Gustafsson M, Jensen J, Tabatabaei A, Schmelzer K, Olsson R, Burstein ES. (2011)
Characterization of highly efficacious allosteric agonists of the human calcium-sensing receptor.
J Pharmacol Exp Ther, 337 (1): 275-84. [PMID:21239511]