Molecular Details
DICL_CP_0327030
- 2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0327030
PubChem CID
Molecular Formula
C17H19N3O2 Molecular Weight
297.358 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
NCZCAXHQNROXNW-UHFFFAOYSA-N
InChI
InChI=1S/C17H19N3O2/c21-17(11-20-16-7-9-22-12-14(16)10-18-20)19-8-3-5-13-4-1-2-6-15(13)19/h1-2,4,6,1...
IUPAC Name
2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
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
22 25 0 0 0 0 0 0 0 0999 V2000
0.5831 1.7121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5114 0.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8221 -0...
Experimental Data
Activity Data
Target Ion Channel
Inward rectifier potassium channel 2
Uniprot Accession Number
Function
Antagonist
Species
Homo sapiens (Human)
IC50
IC50: >30000 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 7.4
Holding Potential
Not specified
Temperature
Room Temperature
Test Method
Fluorometric Imaging Plate Reader (FLIPR) assay (Thallium Flux)
Test Species
HEK 293 cell
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
DOI
N/A (Not available)
URL
N/A (Not available)
PMID
N/A (Not available)
Patent
US11632953
Computed Properties
Heavy Atom Count
22
Rotatable Bonds
2
logP
1.9352
Complexity
82.703
TPSA (Ų)
47.36
H-Bond Donors
0
H-Bond Acceptors
4
Ring Count
4