[3H]darifenacin   Click here for help

GtoPdb Ligand ID: 319

 Ligand is labelled  Ligand is radioactive
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 1
Rotatable bonds 7
Topological polar surface area 55.56
Molecular weight 426.23
XLogP 4.54
No. Lipinski's rules broken 0
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Canonical SMILES NC(=O)C(c1ccccc1)(c1ccccc1)C1CCN(C1)CCc1ccc2c(c1)CCO2
Isomeric SMILES NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2
InChI InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
M3 receptor Hs Antagonist Antagonist 9.5 pKd - 1
pKd 9.5 (Kd 3.16x10-10 M) [1]
M1 receptor Hs Antagonist Antagonist 8.8 pKd - 1
pKd 8.8 [1]