Molecular Details
DICL_CP_0336765
- N-(1-(cyclohexylmethyl)-3-methyl-1H-pyrazol-5-yl)-2-(6-methylpyridin-3-yl)acetamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0336765
PubChem CID
N/A (Not available)
Molecular Formula
C19H26N4O Molecular Weight
326.444 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
RFVARTJEHKYUKS-UHFFFAOYSA-N
InChI
InChI=1S/C19H26N4O/c1-14-8-9-17(12-20-14)11-19(24)21-18-10-15(2)22-23(18)13-16-6-4-3-5-7-16/h8-10,12...
IUPAC Name
N-(1-(cyclohexylmethyl)-3-methyl-1H-pyrazol-5-yl)-2-(6-methylpyridin-3-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
24 26 0 0 0 0 0 0 0 0999 V2000
-6.6661 -1.9113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5695 -0.8879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9076 0...
Experimental Data
Activity Data
Target Ion Channel
Inward rectifier potassium channel 2
Uniprot Accession Number
Function
Inhibitor
Species
Rattus norvegicus (Rat)
IC50
IC50: 3890 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
24
Rotatable Bonds
5
logP
3.6564
Complexity
94.8467
TPSA (Ų)
59.81
H-Bond Donors
1
H-Bond Acceptors
4
Ring Count
3