Ligand |
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| Ligand Name: (4R)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one | ||
| HET ID: 0MO | PubChem: 6603746 | |
| DrugBank: DB06842 | ChEMBL: CHEMBL1229585 | |
| Canonical SMILES: CCCCOc1cc(ccc1OC)C[C@@H]1CNC(=O)N1 | ||
| Standard InChI: InChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)/t12-/m1/s1 | ||
| Molecular Formula: C15H22N2O3 | Mol. Weight: 278.34677 | Heavy Atoms: 20 |
| Charge: 0 | Is Chiral: True | logP: 2.7556 |
| HBD: 2 | HBA: 5 | TPSA: 59.59 |
| #Bonds: 22 | #Rotatable Bonds: 7 | Shape Complexity: 0.53333336 |
| Stereocomplexity: 0.06666667 | Ligand Type: Small Molecule | |
Binding Affinity |
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| Database Name | Value |
| BindingDB | IC50 : 4300 nM, EC50 : 3300 nM, IC50 : 4800 nM, IC50 : 26000 nM |