Molecular Details
DICL_CP_0311699
- benzo[e][1,3]benzothiazol-2-amine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0311699
PubChem CID
Molecular Formula
C11H8N2S Molecular Weight
200.266 g/mol
Synonyms/Alias
[40172-65-4; Naphtho[1;2-d]thiazol-2-amine; SKA-31; 2-Amino-beta-naphthothiazole; Naphtho[1;2-d]thiazol-2-ylamine; SKA 31; 2-Aminonaphthiazole; naphtho[1;2-d][1;3]thiazol-2-amine; benzo[e][1;3]benzoth...
InChI Key
FECQXVPRUCCUIL-UHFFFAOYSA-N
InChI
InChI=1S/C11H8N2S/c12-11-13-10-8-4-2-1-3-7(8)5-6-9(10)14-11/h1-6H,(H2,12,13)
IUPAC Name
benzo[e][1,3]benzothiazol-2-amine
CAS Number
40172-65-4
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
-3.1664 -0.7927 -0.8631 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1635 -1.6634 -1.2978 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8251 -1.410...
Experimental Data
Activity Data
Target Ion Channel
Small conductance Calcium activated potassium channel protein 3
Uniprot Accession Number
Function
Activator
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
EC50: 2900 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.2
Holding Potential
−80 mV mV
Temperature
25 °C
Test Method
Patch-clamping
Test Species
HEK293 cell (Homo sapiens embryonic kidney 293 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
3.0317
Complexity
61.5384
TPSA (Ų)
38.91
H-Bond Donors
1
H-Bond Acceptors
3
Ring Count
3