Ligand |
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| Ligand Name: 2-(biphenyl-4-yloxy)-1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]ethanone | ||
| HET ID: SOF | PubChem: 2911244 | |
| DrugBank: - | ChEMBL: CHEMBL3965046 | |
| Canonical SMILES: CCN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc(cc1)c1ccccc1 | ||
| Standard InChI: InChI=1S/C25H33N3O2/c1-2-26-16-18-27(19-17-26)23-12-14-28(15-13-23)25(29)20-30-24-10-8-22(9-11-24)21-6-4-3-5-7-21/h3-11,23H,2,12-20H2,1H3 | ||
| Molecular Formula: C25H33N3O2 | Mol. Weight: 407.54843 | Heavy Atoms: 30 |
| Charge: 0 | Is Chiral: False | logP: 3.1746 |
| HBD: 0 | HBA: 5 | TPSA: 36.02 |
| #Bonds: 33 | #Rotatable Bonds: 7 | Shape Complexity: 0.48 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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| Database Name | Value |
| BindingDB | IC50 : 18000 nM, IC50 : 31000 nM |