Molecular Details
DICL_CP_0327056
- N-(2-bicyclo[2.2.1]heptanyl)-2-(5-phenyltetrazol-2-yl)acetamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0327056
PubChem CID
Molecular Formula
C16H19N5O Molecular Weight
297.362 g/mol
Synonyms/Alias
[CHEMBL4474970; BDBM50532036]
InChI Key
DLKZJBMUUOOTSV-UHFFFAOYSA-N
InChI
InChI=1S/C16H19N5O/c22-15(17-14-9-11-6-7-13(14)8-11)10-21-19-16(18-20-21)12-4-2-1-3-5-12/h1-5,11,13-...
IUPAC Name
N-(2-bicyclo[2.2.1]heptanyl)-2-(5-phenyltetrazol-2-yl)acetamide
CAS Number
5173-98-8
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
22 25 0 0 0 0 0 0 0 0999 V2000
-6.9923 -1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6530 -1.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5967 -0...
Experimental Data
Activity Data
Target Ion Channel
ATP sensitive inward rectifier potassium channel 1
Uniprot Accession Number
Function
Inhibitor
Species
Rattus norvegicus (Rat)
IC50
IC50: 340 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
22
Rotatable Bonds
4
logP
1.6449
Complexity
80.6317
TPSA (Ų)
72.7
H-Bond Donors
1
H-Bond Acceptors
5
Ring Count
4