Molecular Details
DICL_CP_0316683
- 5-(methoxymethyl)-3-methylfuro[3,2-g]chromen-7-one
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0316683
PubChem CID
Molecular Formula
C14H12O4 Molecular Weight
244.246 g/mol
Synonyms/Alias
[CHEMBL141680; BDBM50067879; 5-Methoxymethyl-3-methyl-furo[3;2-g]chromen-7-one]
InChI Key
KHEQLEGKKZNNTL-UHFFFAOYSA-N
InChI
InChI=1S/C14H12O4/c1-8-6-17-12-5-13-11(4-10(8)12)9(7-16-2)3-14(15)18-13/h3-6H,7H2,1-2H3
IUPAC Name
5-(methoxymethyl)-3-methylfuro[3,2-g]chromen-7-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
30 32 0 0 0 0 0 0 0 0999 V2000
-3.2196 2.1298 -0.8445 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1588 0.6495 -0.6506 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2269 -0.240...
Experimental Data
Activity Data
Target Ion Channel
Potassium voltage-gated channel subfamily A member 1
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: 56000 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
18
Rotatable Bonds
2
logP
2.994
Complexity
67.706
TPSA (Ų)
52.58
H-Bond Donors
0
H-Bond Acceptors
4
Ring Count
3