Molecular Details
DICL_CP_0307968
- 5,6,7,8-tetrahydroisoquinolin-8-amine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307968
PubChem CID
Molecular Formula
C9H12N2 Molecular Weight
148.209 g/mol
Synonyms/Alias
[5;6;7;8-TETRAHYDROISOQUINOLIN-8-AMINE; 497251-60-2; 5;6;7;8-TETRAHYDRO-ISOQUINOLIN-8-YLAMINE; CHEMBL119939; SCHEMBL2669664; DTXSID80658361; XUA25160; BDBM50148870; MFCD08235025; AKOS023656763; MB0595...
InChI Key
BMARABOQKIKIRT-UHFFFAOYSA-N
InChI
InChI=1S/C9H12N2/c10-9-3-1-2-7-4-5-11-6-8(7)9/h4-6,9H,1-3,10H2
IUPAC Name
5,6,7,8-tetrahydroisoquinolin-8-amine
CAS Number
1428652-17-8
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
23 24 0 0 0 0 0 0 0 0999 V2000
-1.5369 -1.4150 -0.5791 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0153 -0.0184 -0.1909 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9482 1.041...
Experimental Data
Activity Data
Target Ion Channel
Neuronal acetylcholine receptor subunit alpha-4/beta-2
Uniprot Accession Number
Function
Inhibitor
Species
Mus musculus (Mouse)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: >10000 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
11
Rotatable Bonds
0
logP
1.4177
Complexity
44.1034
TPSA (Ų)
38.91
H-Bond Donors
1
H-Bond Acceptors
2
Ring Count
2