Molecular Details
DICL_CP_0323430
- 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N,N-dimethylquinolin-4-amine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0323430
PubChem CID
N/A (Not available)
Molecular Formula
C16H17N3S Molecular Weight
283.4 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
VJHNBBQVONWTCM-UHFFFAOYSA-N
InChI
InChI=1S/C16H17N3S/c1-10-16(20-11(2)17-10)14-9-15(19(3)4)12-7-5-6-8-13(12)18-14/h5-9H,1-4H3
IUPAC Name
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N,N-dimethylquinolin-4-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
20 22 0 0 0 0 0 0 0 0999 V2000
1.5587 3.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2848 2.3764 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7846 2...
Experimental Data
Activity Data
Target Ion Channel
Potassium channel subfamily K member 2
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: >5001 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
Not mention
Holding Potential
Not specified
Temperature
Room Temperature
Test Method
Fluorometric Imaging Plate Reader (FLIPR) assay
Test Species
Not specified
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
DOI
N/A (Not available)
URL
N/A (Not available)
PMID
N/A (Not available)
Patent
US10626094
Computed Properties
Heavy Atom Count
20
Rotatable Bonds
2
logP
4.0411
Complexity
86.652
TPSA (Ų)
29.02
H-Bond Donors
0
H-Bond Acceptors
4
Ring Count
3