Molecular Details
DICL_CP_0322824
- 2-[3-(trifluoromethyl)anilino]benzoic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0322824
PubChem CID
Molecular Formula
C14H10F3NO2 Molecular Weight
281.233 g/mol
Synonyms/Alias
[flufenamic acid; 530-78-9; Arlef; Fluphenamic acid; Nichisedan; Achless; 2-((3-(Trifluoromethyl)phenyl)amino)benzoic acid; N-(3-Trifluoromethylphenyl)anthranilic acid; Flufacid; Fullsafe; Lanceat; Pa...
InChI Key
LPEPZBJOKDYZAD-UHFFFAOYSA-N
InChI
InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)
IUPAC Name
2-[3-(trifluoromethyl)anilino]benzoic acid
CAS Number
530-78-9
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
30 31 0 0 0 0 0 0 0 0999 V2000
-3.9958 -1.5235 0.4744 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8019 -2.2363 0.5650 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6111 -1.663...
Experimental Data
Activity Data
Target Ion Channel
Calcium activated potassium channel 2 (KCa4.2)
Uniprot Accession Number
Function
Activator
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
EC50: 1100000 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
−140 to 80 mV mV
Temperature
23–25 °C
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
20
Rotatable Bonds
3
logP
4.1472
Complexity
68.128
TPSA (Ų)
49.33
H-Bond Donors
2
H-Bond Acceptors
2
Ring Count
2