Molecular Details
DICL_CP_0352143
- 14,14-diethoxy-12,15,15-trimethyl-11,12-diaza-9-azoniatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,9(13),10-pentaene;chloride
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0352143
PubChem CID
Molecular Formula
C19H26ClN3O2 Molecular Weight
363.889 g/mol
Synonyms/Alias
[CHEMBL53472]
InChI Key
MLBNEKAINMVHTM-UHFFFAOYSA-M
InChI
InChI=1S/C19H26N3O2.ClH/c1-6-23-19(24-7-2)15-13-10-8-9-11-14(13)16(18(19,3)4)22-12-20-21(5)17(15)22;...
IUPAC Name
14,14-diethoxy-12,15,15-trimethyl-11,12-diaza-9-azoniatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,9(13),10-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
51 53 0 0 0 0 0 0 0 0999 V2000
2.4308 -2.2330 -2.3197 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2129 -1.3912 -1.9713 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1845 -1.174...
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: 30 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
-0.4446
Complexity
89.591
TPSA (Ų)
40.16
H-Bond Donors
0
H-Bond Acceptors
4
Ring Count
5