TBPB   Click here for help

GtoPdb Ligand ID: 3258

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 1
Rotatable bonds 4
Topological polar surface area 44.27
Molecular weight 404.26
XLogP 3.54
No. Lipinski's rules broken 0
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Canonical SMILES Cc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c(=O)[nH]c2c1cccc2
Isomeric SMILES Cc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c(=O)[nH]c2c1cccc2
InChI InChI=1S/C25H32N4O/c1-19-6-2-3-7-20(19)18-27-14-10-21(11-15-27)28-16-12-22(13-17-28)29-24-9-5-4-8-23(24)26-25(29)30/h2-9,21-22H,10-18H2,1H3,(H,26,30)
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Probing the molecular mechanism of interaction between 4-n-butyl-1-[4-(2-methylphenyl)-4-oxo-1-butyl]-piperidine (AC-42) and the muscarinic M(1) receptor: direct pharmacological evidence that AC-42 is an allosteric agonist.
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Human muscarinic receptors expressed in A9L and CHO cells: activation by full and partial agonists.
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Discovery of N-{1-[3-(3-oxo-2,3-dihydrobenzo[1,4]oxazin-4-yl)propyl]piperidin-4-yl}-2-phenylacetamide (Lu AE51090): an allosteric muscarinic M1 receptor agonist with unprecedented selectivity and procognitive potential.
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Structural requirements of transmembrane domain 3 for activation by the M1 muscarinic receptor agonists AC-42, AC-260584, clozapine, and N-desmethylclozapine: evidence for three distinct modes of receptor activation.
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Discovery of an ectopic activation site on the M(1) muscarinic receptor.
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N-desmethylclozapine, an allosteric agonist at muscarinic 1 receptor, potentiates N-methyl-D-aspartate receptor activity.
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