Ligand |
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| Ligand Name: 1-(5-ethoxypyridin-3-yl)-1,4-diazepane | ||
| HET ID: 09P | PubChem: 22053540 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: CCOc1cncc(c1)N1CCNCCC1 | ||
| Standard InChI: InChI=1S/C12H19N3O/c1-2-16-12-8-11(9-14-10-12)15-6-3-4-13-5-7-15/h8-10,13H,2-7H2,1H3 | ||
| Molecular Formula: C12H19N3O | Mol. Weight: 221.29877 | Heavy Atoms: 16 |
| Charge: 0 | Is Chiral: False | logP: 1.6738 |
| HBD: 1 | HBA: 4 | TPSA: 37.39 |
| #Bonds: 17 | #Rotatable Bonds: 3 | Shape Complexity: 0.5833333 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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| Database Name | Value |
| BindingDB | Ki : 2.200000047683716 nM |