Molecular Details
DICL_CP_0352516
- N-(1-(cyclohexylmethyl)-3-methyl-1H-pyrazol-5-yl)-2-(2-methyl-1H-indol-3-yl)acetamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0352516
PubChem CID
N/A (Not available)
Molecular Formula
C22H28N4O Molecular Weight
364.493 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
VWQQVSHTDHARGV-UHFFFAOYSA-N
InChI
InChI=1S/C22H28N4O/c1-15-12-21(26(25-15)14-17-8-4-3-5-9-17)24-22(27)13-19-16(2)23-20-11-7-6-10-18(19...
IUPAC Name
N-(1-(cyclohexylmethyl)-3-methyl-1H-pyrazol-5-yl)-2-(2-methyl-1H-indol-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
55 58 0 0 0 0 0 0 0 0999 V2000
-0.9928 -3.3527 -3.2224 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0650 -2.0999 -2.4166 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0400 -1.177...
Experimental Data
Activity Data
Target Ion Channel
ATP sensitive inward rectifier potassium channel 10
Uniprot Accession Number
Function
Blocker
Species
Rattus norvegicus (Rat)
IC50
IC50: 5200 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
27
Rotatable Bonds
5
logP
4.7427
Complexity
108.9084
TPSA (Ų)
62.71
H-Bond Donors
2
H-Bond Acceptors
3
Ring Count
4