4P-PDOT   Click here for help

GtoPdb Ligand ID: 1358

Synonyms: 4-phenyl-2-propionamidotetraline | N-(4-phenyltetralin-2-yl)propanamide
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 4
Topological polar surface area 29.1
Molecular weight 279.16
XLogP 3.56
No. Lipinski's rules broken 0
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Canonical SMILES CCC(=O)NC1Cc2ccccc2C(C1)c1ccccc1
Isomeric SMILES CCC(=O)NC1Cc2ccccc2C(C1)c1ccccc1
InChI InChI=1S/C19H21NO/c1-2-19(21)20-16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,2,12-13H2,1H3,(H,20,21)
1. Audinot V, Mailliet F, Lahaye-Brasseur C, Bonnaud A, Le Gall A, Amossé C, Dromaint S, Rodriguez M, Nagel N, Galizzi JP et al.. (2003)
New selective ligands of human cloned melatonin MT1 and MT2 receptors.
Naunyn Schmiedebergs Arch Pharmacol, 367 (6): 553-61. [PMID:12764576]
2. Dubocovich ML, Masana MI, Iacob S, Sauri DM. (1997)
Melatonin receptor antagonists that differentiate between the human Mel1a and Mel1b recombinant subtypes are used to assess the pharmacological profile of the rabbit retina ML1 presynaptic heteroreceptor.
Naunyn Schmiedebergs Arch Pharmacol, 355 (3): 365-75. [PMID:9089668]
3. Dubocovich ML, Yun K, Al-Ghoul WM, Benloucif S, Masana MI. (1998)
Selective MT2 melatonin receptor antagonists block melatonin-mediated phase advances of circadian rhythms.
FASEB J, 12 (12): 1211-20. [PMID:9737724]