Molecular Details
DICL_CP_0341258
- 2-(4-benzylpiperidin-1-yl)-N-(4-hydroxyphenyl)-2-oxoacetamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0341258
PubChem CID
Molecular Formula
C20H22N2O3 Molecular Weight
338.407 g/mol
Synonyms/Alias
[CHEMBL360373; 2-(4-Benzyl-piperidin-1-yl)-N-(4-hydroxy-phenyl)-2-oxo-acetamide; SCHEMBL4411704; SUUUWZXPEXVKGX-UHFFFAOYSA-N; BDBM50149690]
InChI Key
SUUUWZXPEXVKGX-UHFFFAOYSA-N
InChI
InChI=1S/C20H22N2O3/c23-18-8-6-17(7-9-18)21-19(24)20(25)22-12-10-16(11-13-22)14-15-4-2-1-3-5-15/h1-9...
IUPAC Name
2-(4-benzylpiperidin-1-yl)-N-(4-hydroxyphenyl)-2-oxoacetamide
CAS Number
496058-11-8
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
47 49 0 0 0 0 0 0 0 0999 V2000
2.1569 0.8823 0.2569 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0135 0.9074 1.2764 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1896 0.280...
Experimental Data
Activity Data
Target Ion Channel
Glutamate receptor ionotropic subunit NMDA 1/2B
Uniprot Accession Number
Function
Antagonist
Species
Mus musculus (Mouse)
IC50
IC50: 31 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
Not specified
Temperature
4 °C
Test Method
Binding assay ([3H] Ro-25,6981)
Test Species
Not specified
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
25
Rotatable Bonds
3
logP
2.812
Complexity
96.1865
TPSA (Ų)
69.64
H-Bond Donors
2
H-Bond Acceptors
3
Ring Count
3