Molecular Details
DICL_CP_0313684
- 6-(trifluoromethyl)-1,3-benzothiazol-2-amine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0313684
PubChem CID
Molecular Formula
C8H5F3N2S Molecular Weight
218.203 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
WEDYEBJLWMPPOK-UHFFFAOYSA-N
InChI
InChI=1S/C8H5F3N2S/c9-8(10,11)4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H2,12,13)
IUPAC Name
6-(trifluoromethyl)-1,3-benzothiazol-2-amine
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
19 20 0 0 0 0 0 0 0 0999 V2000
4.2193 0.2584 0.8286 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8137 0.2009 0.6035 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2723 -0.125...
Experimental Data
Activity Data
Target Ion Channel
Sodium channel protein type 4 subunit alpha
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: 58000 (Tonic Block) 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
−80 mV mV
Temperature
20–22 °C
Test Method
Patch-clamping
Test Species
Human embryonic kidney (HEK293T) cell
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
14
Rotatable Bonds
0
logP
2.8973
Complexity
49.0344
TPSA (Ų)
38.91
H-Bond Donors
1
H-Bond Acceptors
3
Ring Count
2