WAY-208466   Click here for help

GtoPdb Ligand ID: 8429

Compound class: Synthetic organic
Comment: WAY-208466 is a selective serotonin 5-HT6 receptor agonist [1-2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 63.58
Molecular weight 347.11
XLogP 2.9
No. Lipinski's rules broken 0
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Canonical SMILES CN(CCn1cc(c2c1nccc2)S(=O)(=O)c1cccc(c1)F)C
Isomeric SMILES CN(CCn1cc(c2c1nccc2)S(=O)(=O)c1cccc(c1)F)C
InChI InChI=1S/C17H18FN3O2S/c1-20(2)9-10-21-12-16(15-7-4-8-19-17(15)21)24(22,23)14-6-3-5-13(18)11-14/h3-8,11-12H,9-10H2,1-2H3
1. Bernotas RC, Lenicek S, Antane S, Cole DC, Harrison BL, Robichaud AJ, Zhang GM, Smith D, Platt B, Lin Q et al.. (2009)
Novel 1-aminoethyl-3-arylsulfonyl-1H-pyrrolo[2,3-b]pyridines are potent 5-HT(6) agonists.
Bioorg Med Chem, 17 (14): 5153-63. [PMID:19523834]
2. Schechter LE, Lin Q, Smith DL, Zhang G, Shan Q, Platt B, Brandt MR, Dawson LA, Cole D, Bernotas R et al.. (2008)
Neuropharmacological profile of novel and selective 5-HT6 receptor agonists: WAY-181187 and WAY-208466.
Neuropsychopharmacology, 33 (6): 1323-35. [PMID:17625499]