Molecular Details
DICL_CP_0311300
- 3-(2-aminopropoxy)-2,4-dimethylphenol
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0311300
PubChem CID
Molecular Formula
C11H17NO2 Molecular Weight
195.262 g/mol
Synonyms/Alias
[3-(2-aminopropoxy)-2;4-dimethylphenol; m-Hydroxy Mexiletine; 129417-37-4; 133883-48-4; CHEMBL2018453; 3-Hydroxymexiletine; m-Hydroxymexiletine; meta-Hydroxymexiletine; Rac-M-Hydroxymexiletine; 1-(2;6...
InChI Key
LBHCZYGJQAXJSW-UHFFFAOYSA-N
InChI
InChI=1S/C11H17NO2/c1-7-4-5-10(13)9(3)11(7)14-6-8(2)12/h4-5,8,13H,6,12H2,1-3H3
IUPAC Name
3-(2-aminopropoxy)-2,4-dimethylphenol
CAS Number
129417-37-4
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
31 31 0 0 0 0 0 0 0 0999 V2000
1.0554 -1.9863 -1.9532 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6774 -1.0729 -0.9342 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9118 -0.068...
Experimental Data
Activity Data
Target Ion Channel
Sodium channel protein type 5 subunit alpha
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: 174000 (0.1 Hz) nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
Extracellular solution pH 7.4/Intracellular solution pH 7.2
Holding Potential
−120 mV mV
Temperature
20−22 °C
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
14
Rotatable Bonds
3
logP
1.735
Complexity
56.7252
TPSA (Ų)
55.48
H-Bond Donors
2
H-Bond Acceptors
3
Ring Count
1