Molecular Details
DICL_CP_0355926
- 5-methoxy-2-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzoic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0355926
PubChem CID
Molecular Formula
C16H12F3NO4S Molecular Weight
371.336 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
LMRSRPGCWLTGMK-UHFFFAOYSA-N
InChI
InChI=1S/C16H12F3NO4S/c1-24-10-4-7-13(12(8-10)15(22)23)20-14(21)9-2-5-11(6-3-9)25-16(17,18)19/h2-8H,...
IUPAC Name
5-methoxy-2-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzoic 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
37 38 0 0 0 0 0 0 0 0999 V2000
-6.8333 0.7280 0.7231 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8516 1.3571 -0.0943 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5061 0.965...
Experimental Data
Activity Data
Target Ion Channel
Potassium channel subfamily K member 10
Uniprot Accession Number
Function
Activator
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
not mention
Holding Potential
Not specified
Temperature
Not mention
Test Method
Flux assay (Thallium ion)
Test Species
Not specified
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
25
Rotatable Bonds
5
logP
4.2576
Complexity
86.2605
TPSA (Ų)
75.63
H-Bond Donors
2
H-Bond Acceptors
4
Ring Count
2