Molecular Details
DICL_CP_0316429
- 2-(2,3-dimethylanilino)benzoic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0316429
PubChem CID
Molecular Formula
C15H15NO2 Molecular Weight
241.29 g/mol
Synonyms/Alias
[mefenamic acid; 61-68-7; Ponstel; 2-[(2;3-dimethylphenyl)amino]benzoic acid; Mephenamic acid; 2-((2;3-Dimethylphenyl)amino)benzoic acid; Mephenaminic acid; Ponstan; Methenamic acid; Parkemed; Vialido...
InChI Key
HYYBABOKPJLUIN-UHFFFAOYSA-N
InChI
InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)
IUPAC Name
2-(2,3-dimethylanilino)benzoic acid
CAS Number
61-68-7
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
33 34 0 0 0 0 0 0 0 0999 V2000
4.5969 0.0242 0.2713 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2270 0.1041 -0.3521 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0458 -0.141...
Experimental Data
Activity Data
Target Ion Channel
Potassium voltage-gated channel subfamily KQT member 1
Uniprot Accession Number
Function
Blocker
Species
Homo sapiens (Human)
IC50
IC50: 9500 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 7.2
Holding Potential
−40 to 80 mV mV
Temperature
28 °C
Test Method
Patch-clamping
Test Species
CHO cell (Chinese hamster ovary cell)
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
18
Rotatable Bonds
3
logP
3.7452
Complexity
72.6
TPSA (Ų)
49.33
H-Bond Donors
2
H-Bond Acceptors
2
Ring Count
2