Molecular Details
DICL_CP_0308033
- methyl 2-aminobenzoate
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0308033
PubChem CID
Molecular Formula
C8H9NO2 Molecular Weight
151.165 g/mol
Synonyms/Alias
[METHYL ANTHRANILATE; Methyl 2-aminobenzoate; 134-20-3; 2-Aminobenzoic acid methyl ester; Methyl o-aminobenzoate; o-Carbomethoxyaniline; Anthranilic acid methyl ester; 2-Carbomethoxyaniline; 2-(Methox...
InChI Key
VAMXMNNIEUEQDV-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,9H2,1H3
IUPAC Name
methyl 2-aminobenzoate
CAS Number
3034574-48-3
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
11 11 0 0 0 0 0 0 0 0999 V2000
-3.8677 0.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3891 1.0300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4313 -0...
Experimental Data
Activity Data
Target Ion Channel
Cystic fibrosis transmembrane conductance regulator (Chloride channel)
Uniprot Accession Number
Function
Potentiator
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
EC50: 30000 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
Not specified
Temperature
37 °C
Test Method
Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay
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
11
Rotatable Bonds
1
logP
1.0554
Complexity
42.1939
TPSA (Ų)
52.32
H-Bond Donors
1
H-Bond Acceptors
3
Ring Count
1