Molecular Details
DICL_CP_0317463
- naphtho[2,3-g][1,3]benzothiazol-2-amine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0317463
PubChem CID
Molecular Formula
C15H10N2S Molecular Weight
250.326 g/mol
Synonyms/Alias
[SKA-20; GTPL9312; SCHEMBL20374782; anthra[2;1-d]thiazol-2-ylamine]
InChI Key
YKXKYTRQOWDNGL-UHFFFAOYSA-N
InChI
InChI=1S/C15H10N2S/c16-15-17-13-6-5-11-7-9-3-1-2-4-10(9)8-12(11)14(13)18-15/h1-8H,(H2,16,17)
IUPAC Name
naphtho[2,3-g][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
28 31 0 0 0 0 0 0 0 0999 V2000
-4.6046 -0.0936 -0.0336 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2542 1.0426 0.6998 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9087 1.363...
Experimental Data
Activity Data
Target Ion Channel
Intermediate/Small conductance calcium activated potassium channel subfamily N member 2 (KCa2.2)
Uniprot Accession Number
Function
Activator
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
EC50: 430 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
18
Rotatable Bonds
0
logP
4.1849
Complexity
79.0444
TPSA (Ų)
38.91
H-Bond Donors
1
H-Bond Acceptors
3
Ring Count
4