Molecular Details
DICL_CP_0314639
- 2-(3-methylanilino)benzoic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0314639
PubChem CID
Molecular Formula
C14H13NO2 Molecular Weight
227.263 g/mol
Synonyms/Alias
[16524-22-4; 2-(m-Tolylamino)benzoic acid; N-(3-Methylphenyl)anthranilic acid; 2-(3-methylanilino)benzoic acid; Benzoic acid; 2-[(3-methylphenyl)amino]-; 2-m-Tolylamino-benzoic acid; Anthranilic acid;...
InChI Key
JODCQKTVDXZQEP-UHFFFAOYSA-N
InChI
InChI=1S/C14H13NO2/c1-10-5-4-6-11(9-10)15-13-8-3-2-7-12(13)14(16)17/h2-9,15H,1H3,(H,16,17)
IUPAC Name
2-(3-methylanilino)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
30 31 0 0 0 0 0 0 0 0999 V2000
3.6167 0.9248 1.1036 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7903 0.6295 -0.1131 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4152 0.376...
Experimental Data
Activity Data
Target Ion Channel
Transient receptor potential cation channel subfamily M member 2
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: 76000 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 to 7.3
Holding Potential
−100 to 100 mV mV
Temperature
Room Temperature
Test Method
Patch-clamping
Test Species
HEK293T cell (Homo sapiens embryonic kidney 293T cell)
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
17
Rotatable Bonds
3
logP
3.4368
Complexity
67.863
TPSA (Ų)
49.33
H-Bond Donors
2
H-Bond Acceptors
2
Ring Count
2