Molecular Details
DICL_CP_0315759
- methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrobromide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0315759
PubChem CID
Molecular Formula
C8H14BrNO2 Molecular Weight
236.109 g/mol
Synonyms/Alias
[Arecoline hydrobromide; 300-08-3; ARECOLINE HBr; Taeniolin; Arecoline bromide; Methyl 1-Methyl-1;2;5;6-tetrahydropyridine-3-carboxylate hydrobromide; Arecoline (hydrobromide); MFCD00039041; NSC-31750...
InChI Key
AXOJRQLKMVSHHZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H13NO2.BrH/c1-9-5-3-4-7(6-9)8(10)11-2;/h4H,3,5-6H2,1-2H3;1H
IUPAC Name
methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrobromide
CAS Number
300-08-3
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
26 25 0 0 0 0 0 0 0 0999 V2000
-2.1062 -1.3928 0.5284 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7519 -0.5850 -0.6520 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.3273 0.771...
Experimental Data
Activity Data
Target Ion Channel
Two-pore domain potassium channel subfamily K member 9
Uniprot Accession Number
Function
Activator
Species
Homo sapiens (Human)
IC50
IC50: >30000 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 7.35
Holding Potential
−80 mV mV
Temperature
Not mention
Test Method
Patch-clamping
Test Species
HEK293 cell (Homo sapiens embryonic kidney 293 cell)
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
12
Rotatable Bonds
1
logP
0.9992
Complexity
52.535
TPSA (Ų)
29.54
H-Bond Donors
0
H-Bond Acceptors
3
Ring Count
1