Molecular Details
DICL_CP_0326695
- 2-[2-(2,6-dichloroanilino)phenyl]acetic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0326695
PubChem CID
Molecular Formula
C14H11Cl2NO2 Molecular Weight
296.153 g/mol
Synonyms/Alias
[diclofenac; 15307-86-5; Diclofenac acid; dichlofenac; Diclophenac; Diclofenaco; Diclofenacum; 2-(2-((2;6-Dichlorophenyl)amino)phenyl)acetic acid; ProSorb-D; Diclofenac resinate; Voltarol; Diclofenac ...
InChI Key
DCOPUUMXTXDBNB-UHFFFAOYSA-N
InChI
InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)
IUPAC Name
2-[2-(2,6-dichloroanilino)phenyl]acetic acid
CAS Number
15307-86-5
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
-2.3600 -2.6783 0.5470 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9909 -2.8282 0.7589 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0997 -1.866...
Experimental Data
Activity Data
Target Ion Channel
Cystic fibrosis transmembrane conductance regulator (Chloride channel)
Uniprot Accession Number
Function
Inhibitor
Species
Mus musculus (Mouse)
IC50
IC50: ∼10000 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 7.3
Holding Potential
0 mV mV
Temperature
Not mention
Test Method
Patch-clamping
Test Species
Not specified
Binding Information
Binding Site
Transmembrane domain
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
19
Rotatable Bonds
4
logP
4.3641
Complexity
77.5265
TPSA (Ų)
49.33
H-Bond Donors
2
H-Bond Acceptors
2
Ring Count
2