Molecular Details
DICL_CP_0350841
- 12,12-dimethoxy-13,13-dimethyl-6,11-dihydro-6,11-ethanopyrido[1,2-b]isoquinolin-5-ium chloride
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0350841
PubChem CID
N/A (Not available)
Molecular Formula
C21H27ClNO2+ Molecular Weight
360.905 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
RAEOHAGJDWNAEH-UHFFFAOYSA-N
InChI
InChI=1S/C21H26NO2.ClH/c1-5-23-21(24-6-2)18-15-11-7-8-12-16(15)19(20(21,3)4)22-14-10-9-13-17(18)22;/...
IUPAC Name
12,12-dimethoxy-13,13-dimethyl-6,11-dihydro-6,11-ethanopyrido[1,2-b]isoquinolin-5-ium 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
3.4836 -0.5030 -2.3889 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1633 -0.0014 -1.8260 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8712 -0.722...
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: 5.3 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
4.2397
Complexity
100.073
TPSA (Ų)
22.34
H-Bond Donors
0
H-Bond Acceptors
2
Ring Count
5