Molecular Details
DICL_CP_0313185
- 2-anilinobenzoic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0313185
PubChem CID
Molecular Formula
C13H11NO2 Molecular Weight
213.236 g/mol
Synonyms/Alias
[N-phenylanthranilic acid; 91-40-7; Fenamic acid; 2-(Phenylamino)benzoic acid; 2-Anilinobenzoic acid; Diphenylamine-2-carboxylic acid; Phenylanthranilic acid; Benzoic acid; 2-(phenylamino)-; 2-Carboxy...
InChI Key
ZWJINEZUASEZBH-UHFFFAOYSA-N
InChI
InChI=1S/C13H11NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,(H,15,16)
IUPAC Name
2-anilinobenzoic 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
27 28 0 0 0 0 0 0 0 0999 V2000
4.0573 -0.1261 -0.6320 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7962 0.8133 0.3685 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4774 1.095...
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: 790000 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
16
Rotatable Bonds
3
logP
3.1284
Complexity
63.126
TPSA (Ų)
49.33
H-Bond Donors
2
H-Bond Acceptors
2
Ring Count
2