Molecular Details
DICL_CP_0310942
- N-ethyl-N-methyl-5,6,7,8-tetrahydroisoquinolin-8-amine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0310942
PubChem CID
Molecular Formula
C12H18N2 Molecular Weight
190.29 g/mol
Synonyms/Alias
[CHEMBL442400; SCHEMBL7260370; BDBM50366923]
InChI Key
GPCVUHGDQJVKPL-UHFFFAOYSA-N
InChI
InChI=1S/C12H18N2/c1-3-14(2)12-6-4-5-10-7-8-13-9-11(10)12/h7-9,12H,3-6H2,1-2H3
IUPAC Name
N-ethyl-N-methyl-5,6,7,8-tetrahydroisoquinolin-8-amine
CAS Number
2660250-10-0
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
32 33 0 0 0 0 0 0 0 0999 V2000
2.9417 -1.2536 1.6197 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5648 -0.8098 0.2117 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3078 -0.021...
Experimental Data
Activity Data
Target Ion Channel
Neuronal acetylcholine receptor subunit alpha-2/beta-4
Uniprot Accession Number
Function
Antagonist
Species
Mus musculus (Mouse)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: 49900 nM
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
Not mention
Holding Potential
Not specified
Temperature
Not mention
Test Method
Binding assay ([3H] (-)-Nicotine)
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
14
Rotatable Bonds
2
logP
2.4107
Complexity
58.22
TPSA (Ų)
16.13
H-Bond Donors
0
H-Bond Acceptors
2
Ring Count
2