Ligand |
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| Ligand Name: N-[3-(tert-butylamino)propyl]-3-(propan-2-yl)benzamide | ||
| HET ID: K6S | PubChem: 91970648 | |
| DrugBank: - | ChEMBL: CHEMBL4170666 | |
| Canonical SMILES: O=C(c1cccc(c1)C(C)C)NCCCNC(C)(C)C | ||
| Standard InChI: InChI=1S/C17H28N2O/c1-13(2)14-8-6-9-15(12-14)16(20)18-10-7-11-19-17(3,4)5/h6,8-9,12-13,19H,7,10-11H2,1-5H3,(H,18,20) | ||
| Molecular Formula: C17H28N2O | Mol. Weight: 276.41702 | Heavy Atoms: 20 |
| Charge: 0 | Is Chiral: False | logP: 4.0998 |
| HBD: 2 | HBA: 3 | TPSA: 41.13 |
| #Bonds: 20 | #Rotatable Bonds: 8 | Shape Complexity: 0.5882353 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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| Database Name | Value |
| BindingDB | IC50 : 14000 nM |