Molecular Details
DICL_CP_0334124
- 2-[[2-(2-chlorophenoxy)acetyl]amino]-6-methylbenzoic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0334124
PubChem CID
Molecular Formula
C16H14ClNO4 Molecular Weight
319.744 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
CZJKZDZMDNBDDN-UHFFFAOYSA-N
InChI
InChI=1S/C16H14ClNO4/c1-10-5-4-7-12(15(10)16(20)21)18-14(19)9-22-13-8-3-2-6-11(13)17/h2-8H,9H2,1H3,(...
IUPAC Name
2-[[2-(2-chlorophenoxy)acetyl]amino]-6-methylbenzoic acid
CAS Number
N/A (Not available)
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
36 37 0 0 0 0 0 0 0 0999 V2000
4.0904 2.5554 -0.0624 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5202 1.2548 0.4441 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1454 0.628...
Experimental Data
Activity Data
Target Ion Channel
Transient receptor potential cation channel subfamily M member 4
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: 1300 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
Holding Potential
Not specified
Temperature
Room Temperature
Test Method
Influx assay (sodium ion)
Test Species
HEK293 cell
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
22
Rotatable Bonds
5
logP
3.3641
Complexity
83.715
TPSA (Ų)
75.63
H-Bond Donors
2
H-Bond Acceptors
3
Ring Count
2