Molecular Details
DICL_CP_0352453
- N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(4-phenyltriazol-1-yl)acetamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0352453
PubChem CID
Molecular Formula
C20H24N6O Molecular Weight
364.453 g/mol
Synonyms/Alias
[CHEMBL4458146; BDBM50532019]
InChI Key
KQASIPQPLDSXIN-UHFFFAOYSA-N
InChI
InChI=1S/C20H24N6O/c1-15-12-19(26(23-15)17-10-6-3-7-11-17)21-20(27)14-25-13-18(22-24-25)16-8-4-2-5-9...
IUPAC Name
N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(4-phenyltriazol-1-yl)acetamide
CAS Number
1614229-00-3
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
51 54 0 0 0 0 0 0 0 0999 V2000
-2.3739 3.6635 1.5242 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2824 2.3745 0.7795 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3455 1.607...
Experimental Data
Activity Data
Target Ion Channel
SUR1/KIR6.2 (inwardly rectifying calcium-dependent potassium channels)
Uniprot Accession Number
Function
Blocker
Species
Rattus norvegicus (Rat)
IC50
IC50: 32900 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
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
27
Rotatable Bonds
5
logP
3.5939
Complexity
103.1737
TPSA (Ų)
77.63
H-Bond Donors
1
H-Bond Acceptors
6
Ring Count
4