Molecular Details
DICL_CP_0339544
- (4-benzylpiperidin-1-yl)-(5-hydroxy-1H-indol-2-yl)metha
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0339544
PubChem CID
Molecular Formula
C21H22N2O2 Molecular Weight
334.419 g/mol
Synonyms/Alias
[CHEMBL126228; SCHEMBL7158932; BDBM50134657; (4-benzylpiperidin-1-yl)(5-hydroxy-1H-indol-2-yl)metha; (4-Benzyl-piperidin-1-yl)-(5-hydroxy-1H-indol-2-yl)-metha]
InChI Key
PSSKCBVZPHCABL-UHFFFAOYSA-N
InChI
InChI=1S/C21H22N2O2/c24-18-6-7-19-17(13-18)14-20(22-19)21(25)23-10-8-16(9-11-23)12-15-4-2-1-3-5-15/h...
IUPAC Name
(4-benzylpiperidin-1-yl)-(5-hydroxy-1H-indol-2-yl)metha
CAS Number
N/A (Not available)
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
47 50 0 0 0 0 0 0 0 0999 V2000
-0.7754 1.5613 -0.6689 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4576 0.8006 -0.1767 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3349 -0.622...
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: 42 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
3.9684
Complexity
98.737
TPSA (Ų)
56.33
H-Bond Donors
2
H-Bond Acceptors
2
Ring Count
4