Ligand |
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| Ligand Name: 2-(2,4-dichlorophenoxy)-N-[4-(1-piperidinylmethyl)phenyl]acetamide | ||
| HET ID: GC8 | PubChem: 1395053 | |
| DrugBank: - | ChEMBL: CHEMBL1459580 | |
| Canonical SMILES: O=C(Nc1ccc(cc1)CN1CCCCC1)COc1ccc(cc1Cl)Cl | ||
| Standard InChI: InChI=1S/C20H22Cl2N2O2/c21-16-6-9-19(18(22)12-16)26-14-20(25)23-17-7-4-15(5-8-17)13-24-10-2-1-3-11-24/h4-9,12H,1-3,10-11,13-14H2,(H,23,25) | ||
| Molecular Formula: C20H22Cl2N2O2 | Mol. Weight: 393.3069 | Heavy Atoms: 26 |
| Charge: 0 | Is Chiral: False | logP: 5.0077 |
| HBD: 1 | HBA: 4 | TPSA: 41.57 |
| #Bonds: 28 | #Rotatable Bonds: 7 | Shape Complexity: 0.35 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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| Database Name | Value |
| BindingDB | IC50 : 26 nM, IC50 : 30 nM |