Molecular Details
DICL_CP_0327914
- (4aS,10bR)-5,5-dimethyl-1-propanoyl-2,3,4a,10b-tetrahydrochromeno[3,4-b][1,4]oxazine-9-carbonitrile
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0327914
PubChem CID
Molecular Formula
C17H20N2O3 Molecular Weight
300.358 g/mol
Synonyms/Alias
[CHEMBL143268]
InChI Key
SGLSJSYQJDQLHT-CVEARBPZSA-N
InChI
InChI=1S/C17H20N2O3/c1-4-14(20)19-7-8-21-16-15(19)12-9-11(10-18)5-6-13(12)22-17(16,2)3/h5-6,9,15-16H...
IUPAC Name
(4aS,10bR)-5,5-dimethyl-1-propanoyl-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
22 24 0 0 0 0 0 0 0 0999 V2000
3.1400 -3.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6607 -3.5113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1356 -2...
Experimental Data
Activity Data
Target Ion Channel
Inward rectifier potassium channel 2
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 55% inhibition at 30 μM
Experimental Conditions
pH
Not mention
Holding Potential
Not mention mV
Temperature
Not mention
Test Method
Patch-clamping
Test Species
rat portal vein
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
1
logP
2.4078
Complexity
80.349
TPSA (Ų)
62.56
H-Bond Donors
0
H-Bond Acceptors
4
Ring Count
3