PF-04995274   Click here for help

GtoPdb Ligand ID: 9059

Synonyms: compound 2d [PMID: 22974325] | PF 04995274 | PF04995274
Compound class: Synthetic organic
Comment: PF-04995274 is a serotonin 5-HT4 receptor partial agonist, developed as a potential pro-cognitive agent for the treatment of Alzheimer's disease (AD) [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 86.42
Molecular weight 432.23
XLogP 2.21
No. Lipinski's rules broken 0
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Canonical SMILES OC1(CCOCC1)CN1CCC(CC1)COc1noc2c1c(ccc2)OC1COCC1
Isomeric SMILES OC1(CCOCC1)CN1CCC(CC1)COc1noc2c1c(ccc2)O[C@H]1COCC1
InChI InChI=1S/C23H32N2O6/c26-23(7-12-27-13-8-23)16-25-9-4-17(5-10-25)14-29-22-21-19(30-18-6-11-28-15-18)2-1-3-20(21)31-24-22/h1-3,17-18,26H,4-16H2/t18-/m1/s1
1. Brodney MA, Johnson DE, Sawant-Basak A, Coffman KJ, Drummond EM, Hudson EL, Fisher KE, Noguchi H, Waizumi N, McDowell LL et al.. (2012)
Identification of multiple 5-HT₄ partial agonist clinical candidates for the treatment of Alzheimer's disease.
J Med Chem, 55 (21): 9240-54. [PMID:22974325]
2. Duwuri S, Nicholas T, Leurent C, Raunig D, Plotka A, Schwam E, Grimwood S, Rowinski C, Rapp TL. 
Modulation of soluble APPα in brain by PF-04995274, a 5HT4 partial agonist, following single oral doses in healthy human volunteers: Study design and PK-PD analysis.
Accessed on 07/03/2016. Modified on 07/03/2016. Alzheimers and Dementia: the Journal of the Alzheimer's Association., DOI: 10.1016/j.jalz.2012.05.778