Molecular Details
DICL_CP_0354020
- N-[5-methyl-2-(oxan-4-yl)pyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0354020
PubChem CID
Molecular Formula
C18H21N7O2 Molecular Weight
367.413 g/mol
Synonyms/Alias
[CHEMBL4451422; BDBM50532035]
InChI Key
MOQBNJBKOJUUJU-UHFFFAOYSA-N
InChI
InChI=1S/C18H21N7O2/c1-13-11-16(25(21-13)15-7-9-27-10-8-15)19-17(26)12-24-22-18(20-23-24)14-5-3-2-4-...
IUPAC Name
N-[5-methyl-2-(oxan-4-yl)pyrazol-3-yl]-2-(5-phenyltetrazol-2-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
27 30 0 0 0 0 0 0 0 0999 V2000
-2.8716 4.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0356 3.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3383 2...
Experimental Data
Activity Data
Target Ion Channel
ATP sensitive inward rectifier potassium channel 12
Uniprot Accession Number
Function
Inhibitor
Species
Rattus norvegicus (Rat)
IC50
IC50: 630 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
1.8352
Complexity
97.9367
TPSA (Ų)
99.75
H-Bond Donors
1
H-Bond Acceptors
8
Ring Count
4