Molecular Details
DICL_CP_0307573
- barium
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307573
PubChem CID
Molecular Formula
Ba Molecular Weight
137.328 g/mol
Synonyms/Alias
[7440-39-3; Ba; Barium; bario; baryum; Barium; elemental; Barium metal; Bario; Baryum; 24GP945V5T; MFCD00134031; HSDB 4481; Barium Standard: Ba+2 @ 1000 microg/mL in H2O; EINECS 231-149-1; UN1400; Bar...
InChI Key
DSAJWYNOEDNPEQ-UHFFFAOYSA-N
InChI
InChI=1S/Ba
IUPAC Name
barium
CAS Number
7727-43-7
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
1 0 0 0 0 0 0 0 0 0999 V2000
0.0000 0.0000 0.0000 Ba 0 0 0 0 0 15 0 0 0 0 0 0
M END
$$$$
Experimental Data
Activity Data
Target Ion Channel
Potassium voltage-gated channel subfamily KQT member 5
Uniprot Accession Number
Function
Blocker
Species
Homo sapiens (Human)
IC50
IC50: 460000 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
−100 mV mV
Temperature
22–24 °C
Test Method
Patch-clamping
Test Species
CHO cell (Chinese hamster ovary cell)
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
1
Rotatable Bonds
0
logP
-0.3808
Complexity
5.754
TPSA (Ų)
0
H-Bond Donors
0
H-Bond Acceptors
0
Ring Count
0