Molecular Details
DICL_CP_0320920
- (4aR,10bR)-1-formyl-5,5-dimethyl-2,3,4a,10b-tetrahydrochromeno[3,4-b][1,4]oxazine-9-carbonitrile
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0320920
PubChem CID
Molecular Formula
C15H16N2O3 Molecular Weight
272.304 g/mol
Synonyms/Alias
[CHEMBL143362]
InChI Key
AXIWCPZLYCFPNG-ZIAGYGMSSA-N
InChI
InChI=1S/C15H16N2O3/c1-15(2)14-13(17(9-18)5-6-19-14)11-7-10(8-16)3-4-12(11)20-15/h3-4,7,9,13-14H,5-6...
IUPAC Name
(4aR,10bR)-1-formyl-5,5-dimethyl-2,3,4a,10b-tetrahydrochromeno[3,4-b][1,4]oxazine-9-carbonitrile
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
20 22 0 0 0 0 0 0 0 0999 V2000
-2.9109 -2.9690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2689 -1.6133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1293 -0...
Experimental Data
Activity Data
Target Ion Channel
ATP sensitive inward rectifier potassium channel 12
Uniprot Accession Number
Function
Inhibitor
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
decreased 39% inhibition at 30 μM
Experimental Conditions
pH
Not mention
Holding Potential
Not mention mV
Temperature
Not mention
Test Method
Patch-clamping
Test Species
Rat Detrusor Strip
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
20
Rotatable Bonds
1
logP
1.6276
Complexity
71.115
TPSA (Ų)
62.56
H-Bond Donors
0
H-Bond Acceptors
4
Ring Count
3