Molecular Details
DICL_CP_0404036
- 2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0404036
PubChem CID
Molecular Formula
C31H34N2O Molecular Weight
450.626 g/mol
Synonyms/Alias
[CHEMBL259563; SCHEMBL4289200; YQSFGYDYDOBCBI-UHFFFAOYSA-N; BDBM50376815; (+/-)-[2-(2;6-Diethyl-phenyl)-4-methoxy-5;6;7;8-tetrahydro-quinolin-5-yl]-methyl-naphthlen-1-yl-amine]
InChI Key
YQSFGYDYDOBCBI-UHFFFAOYSA-N
InChI
InChI=1S/C31H34N2O/c1-5-21-13-9-14-22(6-2)30(21)26-20-29(34-4)31-25(32-26)17-11-19-28(31)33(3)27-18-...
IUPAC Name
2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine
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
68 72 0 0 0 0 0 0 0 0999 V2000
3.2096 0.8980 -3.1774 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2855 -0.5451 -2.6881 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2799 -0.684...
Experimental Data
Activity Data
Target Ion Channel
Neuronal acetylcholine receptorsubunit alpha-9/alpha10
Uniprot Accession Number
Function
Blocker
Species
Rattus norvegicus (Rat)
IC50
IC50: >10000 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.1 to 7.5
Holding Potential
−70 mV mV
Temperature
Room Temperature
Test Method
Patch-clamping
Test Species
Xenopus laevis oocyte
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
34
Rotatable Bonds
6
logP
7.549
Complexity
143.011
TPSA (Ų)
25.36
H-Bond Donors
0
H-Bond Acceptors
3
Ring Count
5