Molecular Details
DICL_CP_0383088
- 2-(2,4-dichlorophenoxy)-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]acetamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0383088
PubChem CID
Molecular Formula
C16H17Cl2N3O4S Molecular Weight
418.302 g/mol
Synonyms/Alias
[CHEMBL5182581; 1189484-17-0; 2-(2;4-dichlorophenoxy)-N-[1-(1;1-dioxo-1lambda6-thiolan-3-yl)-3-methyl-1H-pyrazol-5-yl]acetamide; BDBM50593373; AKOS024488186; VU0628331-1; Z86879890; F5007-0087; 2-(2;4...
InChI Key
NVBSEMQBJVQXCV-UHFFFAOYSA-N
InChI
InChI=1S/C16H17Cl2N3O4S/c1-10-6-15(21(20-10)12-4-5-26(23,24)9-12)19-16(22)8-25-14-3-2-11(17)7-13(14)...
IUPAC Name
2-(2,4-dichlorophenoxy)-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]acetamide
CAS Number
1189484-17-0
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
43 45 0 0 0 0 0 0 0 0999 V2000
3.3248 3.9499 -1.7652 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6118 2.7396 -1.2633 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2363 1.627...
Experimental Data
Activity Data
Target Ion Channel
Voltage-gated potassium channel subfamily B member 2
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
pH 7.2
Holding Potential
Not specified
Temperature
37 °C
Test Method
Efflux Assay ([86] Rubidium Ion)
Test Species
HEK293 cell (Homo sapiens embryonic kidney 293 cell)
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
26
Rotatable Bonds
5
logP
2.8754
Complexity
99.8585
TPSA (Ų)
90.29
H-Bond Donors
1
H-Bond Acceptors
6
Ring Count
3