Molecular Details
DICL_CP_0308849
- N-methyl-5,6,7,8-tetrahydroisoquinolin-8-amine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0308849
PubChem CID
Molecular Formula
C10H14N2 Molecular Weight
162.236 g/mol
Synonyms/Alias
[N-methyl-5;6;7;8-tetrahydroisoquinolin-8-amine; 497251-67-9; CHEMBL331116; BDBM50148874; Methyl-(5;6;7;8-tetrahydro-isoquinolin-8-yl)-amine; 8Moles of Oxalic acid]
InChI Key
DIHABIJGJRTAET-UHFFFAOYSA-N
InChI
InChI=1S/C10H14N2/c1-11-10-4-2-3-8-5-6-12-7-9(8)10/h5-7,10-11H,2-4H2,1H3
IUPAC Name
N-methyl-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
12 13 0 0 0 0 0 0 0 0999 V2000
-3.6663 -1.3735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1699 -1.4772 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3318 -0...
Experimental Data
Activity Data
Target Ion Channel
Neuronal acetylcholine receptor subunit alpha-4/beta-2
Uniprot Accession Number
Function
Modulator
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
12
Rotatable Bonds
1
logP
1.6784
Complexity
48.9757
TPSA (Ų)
24.92
H-Bond Donors
1
H-Bond Acceptors
2
Ring Count
2