BQCA   Click here for help

GtoPdb Ligand ID: 5436

Synonyms: benzyl quinolone carboxylic acid
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 70.16
Molecular weight 279.09
XLogP 4.61
No. Lipinski's rules broken 0
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Canonical SMILES OC(=O)c1c(=O)[nH]c2c(c1Cc1ccccc1)cccc2
Isomeric SMILES OC(=O)c1c(=O)[nH]c2c(c1Cc1ccccc1)cccc2
InChI InChI=1S/C17H13NO3/c19-16-15(17(20)21)13(10-11-6-2-1-3-7-11)12-8-4-5-9-14(12)18-16/h1-9H,10H2,(H,18,19)(H,20,21)
1. Abdul-Ridha A, Lane JR, Mistry SN, López L, Sexton PM, Scammells PJ, Christopoulos A, Canals M. (2014)
Mechanistic insights into allosteric structure-function relationships at the M1 muscarinic acetylcholine receptor.
J Biol Chem, 289 (48): 33701-11. [PMID:25326383]
2. Abdul-Ridha A, López L, Keov P, Thal DM, Mistry SN, Sexton PM, Lane JR, Canals M, Christopoulos A. (2014)
Molecular determinants of allosteric modulation at the M1 muscarinic acetylcholine receptor.
J Biol Chem, 289 (9): 6067-79. [PMID:24443568]
3. Canals M, Lane JR, Wen A, Scammells PJ, Sexton PM, Christopoulos A. (2012)
A Monod-Wyman-Changeux mechanism can explain G protein-coupled receptor (GPCR) allosteric modulation.
J Biol Chem, 287 (1): 650-9. [PMID:22086918]
4. Ma L, Seager MA, Seager M, Wittmann M, Jacobson M, Bickel D, Burno M, Jones K, Graufelds VK, Xu G et al.. (2009)
Selective activation of the M1 muscarinic acetylcholine receptor achieved by allosteric potentiation.
Proc Natl Acad Sci USA, 106 (37): 15950-5. [PMID:19717450]