Molecular Details
DICL_CP_0338247
- 2-[[2-(2-chlorophenoxy)acetyl]amino]-4-cyanobenzoic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0338247
PubChem CID
Molecular Formula
C16H11ClN2O4 Molecular Weight
330.727 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
WJLVYUKIYBBAIL-UHFFFAOYSA-N
InChI
InChI=1S/C16H11ClN2O4/c17-12-3-1-2-4-14(12)23-9-15(20)19-13-7-10(8-18)5-6-11(13)16(21)22/h1-7H,9H2,(...
IUPAC Name
2-[[2-(2-chlorophenoxy)acetyl]amino]-4-cyanobenzoic 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
34 35 0 0 0 0 0 0 0 0999 V2000
0.4144 -0.7012 2.1264 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7898 -0.5231 2.2396 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3687 -0.871...
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: 3600 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
23
Rotatable Bonds
5
logP
2.9274
Complexity
83.693
TPSA (Ų)
99.42
H-Bond Donors
2
H-Bond Acceptors
4
Ring Count
2