Ligand |
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| Ligand Name: N-[3-(tert-butylamino)propyl]-3-(trifluoromethyl)benzamide | ||
| HET ID: K6M | PubChem: 91970649 | |
| DrugBank: - | ChEMBL: CHEMBL4164098 | |
| Canonical SMILES: O=C(c1cccc(c1)C(F)(F)F)NCCCNC(C)(C)C | ||
| Standard InChI: InChI=1S/C15H21F3N2O/c1-14(2,3)20-9-5-8-19-13(21)11-6-4-7-12(10-11)15(16,17)18/h4,6-7,10,20H,5,8-9H2,1-3H3,(H,19,21) | ||
| Molecular Formula: C15H21F3N2O | Mol. Weight: 302.33524 | Heavy Atoms: 21 |
| Charge: 0 | Is Chiral: False | logP: 3.9952 |
| HBD: 2 | HBA: 3 | TPSA: 41.13 |
| #Bonds: 21 | #Rotatable Bonds: 8 | Shape Complexity: 0.53333336 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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| Database Name | Value |
| BindingDB | IC50 : 22000 nM |