Molecular Details
DICL_CP_0330150
- 2-(3-chloro-4-fluorophenyl)-N-(1-cyclopropyl-3-methyl-1H-pyrazol-5-yl)acetamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0330150
PubChem CID
N/A (Not available)
Molecular Formula
C15H15ClFN3O Molecular Weight
307.756 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
ILALELYSBOAHPM-UHFFFAOYSA-N
InChI
InChI=1S/C15H15ClFN3O/c1-9-6-14(20(19-9)11-3-4-11)18-15(21)8-10-2-5-13(17)12(16)7-10/h2,5-7,11H,3-4,...
IUPAC Name
2-(3-chloro-4-fluorophenyl)-N-(1-cyclopropyl-3-methyl-1H-pyrazol-5-yl)acetamide
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
21 23 0 0 0 0 0 0 0 0999 V2000
-3.9347 3.7823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6521 2.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6778 1...
Experimental Data
Activity Data
Target Ion Channel
Inward rectifier potassium channel 4
Uniprot Accession Number
Function
Inhibitor
Species
Rattus norvegicus (Rat)
IC50
IC50: 4150 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
37 °C
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
21
Rotatable Bonds
4
logP
3.5001
Complexity
78.9787
TPSA (Ų)
46.92
H-Bond Donors
1
H-Bond Acceptors
3
Ring Count
3