Molecular Details
DICL_CP_0313577
- 9-methoxyfuro[3,2-g][1,4]benzoxazin-3-one
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0313577
PubChem CID
Molecular Formula
C11H7NO4 Molecular Weight
217.18 g/mol
Synonyms/Alias
[CHEMBL141623; BDBM50067878; 9-Methoxy-furo[3;2:4;5]benzo[1;2-b][1;4]oxazin-3-one]
InChI Key
RHGCZKKDIWKZNK-UHFFFAOYSA-N
InChI
InChI=1S/C11H7NO4/c1-14-11-6-2-3-15-7(6)4-8-10(11)12-5-9(13)16-8/h2-5H,1H3
IUPAC Name
9-methoxyfuro[3,2-g][1,4]benzoxazin-3-one
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
23 25 0 0 0 0 0 0 0 0999 V2000
-0.6556 2.6439 -1.3744 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4602 1.8156 -1.0680 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4183 0.587...
Experimental Data
Activity Data
Target Ion Channel
Potassium voltage-gated channel subfamily A member 2
Uniprot Accession Number
Function
Blocker
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
Kd: 590000 nM
Inhibition
N/A (Not available)
Experimental Conditions
pH
Not mention
Holding Potential
Not specified
Temperature
Not mention
Test Method
Binding assay
Test Species
Jurkat T cell
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
16
Rotatable Bonds
1
logP
1.9428
Complexity
56.603
TPSA (Ų)
65.47
H-Bond Donors
0
H-Bond Acceptors
5
Ring Count
3