Ligand |
||
 | ||
| Ligand Name: 5-[(2R,4S)-2-(phenylmethyl)piperidin-4-yl]-1,2-oxazol-3-one | ||
| HET ID: XO3 | PubChem: 46938037 | |
| DrugBank: - | ChEMBL: CHEMBL3287849 | |
| Canonical SMILES: O=c1[nH]oc(c1)[C@H]1CCN[C@H](C1)Cc1ccccc1 | ||
| Standard InChI: InChI=1S/C15H18N2O2/c18-15-10-14(19-17-15)12-6-7-16-13(9-12)8-11-4-2-1-3-5-11/h1-5,10,12-13,16H,6-9H2,(H,17,18)/t12-,13-/m0/s1 | ||
| Molecular Formula: C15H18N2O2 | Mol. Weight: 258.3156 | Heavy Atoms: 19 |
| Charge: 0 | Is Chiral: True | logP: 2.375 |
| HBD: 2 | HBA: 3 | TPSA: 58.03 |
| #Bonds: 24 | #Rotatable Bonds: 3 | Shape Complexity: 0.4 |
| Stereocomplexity: 0.13333334 | Ligand Type: Small Molecule | |
Binding Affinity |
|
| Database Name | Value |
| BindingDB | IC50 : 950 nM, IC50 : 280 nM, IC50 : 950 nM, IC50 : 280 nM |