Molecular Details
DICL_CP_0351650
- 14,14-diethoxy-12,15,15-trimethyl-9-aza-12-azoniatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene;chloride
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0351650
PubChem CID
Molecular Formula
C20H27ClN2O2 Molecular Weight
362.901 g/mol
Synonyms/Alias
[CHEMBL53067]
InChI Key
FFYUNBYWRLMHTH-UHFFFAOYSA-M
InChI
InChI=1S/C20H27N2O2.ClH/c1-6-23-20(24-7-2)16-14-10-8-9-11-15(14)17(19(20,3)4)22-13-12-21(5)18(16)22;...
IUPAC Name
14,14-diethoxy-12,15,15-trimethyl-9-aza-12-azoniatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene;chloride
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
52 54 0 0 0 0 0 0 0 0999 V2000
2.0973 1.7741 2.2764 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9061 0.2915 2.5910 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7433 -0.249...
Experimental Data
Activity Data
Target Ion Channel
Glutamate receptor ionotropic subunit NMDA 1
Uniprot Accession Number
Function
Antagonist
Species
Mus musculus (Mouse)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: 8.2 nM
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
Not specified
Temperature
37 °C
Test Method
Binding assay ([3H] TCP)
Test Species
Not specified
Binding Information
Binding Site
Transmembrane domain
Binding Site Residue
PCP site
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
25
Rotatable Bonds
4
logP
0.1604
Complexity
91.796
TPSA (Ų)
27.27
H-Bond Donors
0
H-Bond Acceptors
3
Ring Count
5