Ligand Download |
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Ligand Name: 2-(2,4-dichlorophenoxy)-N-[4-(1-piperidinylmethyl)phenyl]acetamide | ||
HET ID: GC8 | PubChem: 1395053 | |
DrugBank: - | ChEMBL: CHEMBL1459580 | |
Canonical SMILES: O=C(Nc1ccc(cc1)CN1CCCCC1)COc1ccc(cc1Cl)Cl | ||
Standard InChI: InChI=1S/C20H22Cl2N2O2/c21-16-6-9-19(18(22)12-16)26-14-20(25)23-17-7-4-15(5-8-17)13-24-10-2-1-3-11-24/h4-9,12H,1-3,10-11,13-14H2,(H,23,25) | ||
Molecular Formula: C20H22Cl2N2O2 | Mol. Weight: 393.3069 | Heavy Atoms: 26 |
Charge: 0 | Is Chiral: False | logP: 5.0077 |
HBD: 1 | HBA: 4 | TPSA: 41.57 |
#Bonds: 28 | #Rotatable Bonds: 7 | Shape Complexity: 0.35 |
Stereocomplexity: 0.0 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | Binding Affinity | Binding Database | Complex Card |
Acetylcholinesterase | P21836 (ACES_MOUSE) | Mus musculus | 5FOQ | IC50 : 26.0 nM, IC50 : 30.0 nM | BindingDB | SHOW |