ADX-47273   Click here for help

GtoPdb Ligand ID: 1420

Synonyms: ADX 47273 | ADX47273
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 0
Rotatable bonds 4
Topological polar surface area 59.23
Molecular weight 369.13
XLogP 4.27
No. Lipinski's rules broken 0
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Canonical SMILES Fc1ccc(cc1)C(=O)N1CCCC(C1)c1onc(n1)c1ccc(cc1)F
Isomeric SMILES Fc1ccc(cc1)C(=O)N1CCC[C@@H](C1)c1onc(n1)c1ccc(cc1)F
InChI InChI=1S/C20H17F2N3O2/c21-16-7-3-13(4-8-16)18-23-19(27-24-18)15-2-1-11-25(12-15)20(26)14-5-9-17(22)10-6-14/h3-10,15H,1-2,11-12H2/t15-/m0/s1
1. Gilmour G, Broad LM, Wafford KA, Britton T, Colvin EM, Fivush A, Gastambide F, Getman B, Heinz BA, McCarthy AP et al.. (2013)
In vitro characterisation of the novel positive allosteric modulators of the mGlu₅ receptor, LSN2463359 and LSN2814617, and their effects on sleep architecture and operant responding in the rat.
Neuropharmacology, 64: 224-39. [PMID:22884720]
2. Le Poul E, Bessis AS, Lutgens R, Bonnet B, Rocher JP, Epping-Jordan M, Mutel V. (2005)
In vitro pharmacological characterisation of selective mGluR5 positive allosteric modulators.
Neuropharmacology, 49 (S1): 252-.