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
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
mGlu5 receptor Rn Allosteric modulator Positive 5.4 pKi - 1
pKi 5.4 (Ki 3.65x10-6 M) [1]
mGlu5 receptor Rn Allosteric modulator Positive 7.3 pEC50 - 1
pEC50 7.3 (EC50 5.5x10-8 M) [1]
mGlu5 receptor Hs Allosteric modulator Positive 6.8 pEC50 - 1
pEC50 6.8 (EC50 1.57x10-7 M) [1]
mGlu5 receptor Rn Allosteric modulator Positive 6.5 pIC50 - 2
pIC50 6.5 [2]