Molecular Details
DICL_CP_0326686
- 2-(2,6-dichloro-3-methylanilino)benzoic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0326686
PubChem CID
Molecular Formula
C14H11Cl2NO2 Molecular Weight
296.153 g/mol
Synonyms/Alias
[meclofenamic acid; meclofenamate; 644-62-2; Meclophenamic acid; Arquel; 2-[(2;6-dichloro-3-methylphenyl)amino]benzoic acid; Meclomen (free acid); INF 4668; Acido meclofenamico; Acide meclofenamique; ...
InChI Key
SBDNJUWAMKYJOX-UHFFFAOYSA-N
InChI
InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)
IUPAC Name
2-(2,6-dichloro-3-methylanilino)benzoic acid
CAS Number
6385-02-0
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
19 20 0 0 0 0 0 0 0 0999 V2000
5.0765 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8747 -0.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4965 -1...
Experimental Data
Activity Data
Target Ion Channel
Voltage-gated potassium channel subfamily B member 1
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: 56000 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 7.4
Holding Potential
−60 to 50 mV mV
Temperature
22−23 °C
Test Method
Patch-clamping
Test Species
CHO-K1 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
19
Rotatable Bonds
3
logP
4.7436
Complexity
77.883
TPSA (Ų)
49.33
H-Bond Donors
2
H-Bond Acceptors
2
Ring Count
2