Molecular Details
DICL_CP_0316147
- 2,4-dipyridin-2-yl-1,3-thiazole
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0316147
PubChem CID
Molecular Formula
C13H9N3S Molecular Weight
239.303 g/mol
Synonyms/Alias
[CHEMBL523626; 2;4-Bis(2-pyridyl)thiazole; SCHEMBL1741719; BDBM50264075; 2-(4-(pyridin-2-yl)thiazol-2-yl)pyridine]
InChI Key
AQRRBNTVDFDFLM-UHFFFAOYSA-N
InChI
InChI=1S/C13H9N3S/c1-3-7-14-10(5-1)12-9-17-13(16-12)11-6-2-4-8-15-11/h1-9H
IUPAC Name
2,4-dipyridin-2-yl-1,3-thiazole
CAS Number
2061357-59-1
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
26 28 0 0 0 0 0 0 0 0999 V2000
3.7970 -1.8967 -0.3313 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9604 -1.1448 -0.1639 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8567 0.207...
Experimental Data
Activity Data
Target Ion Channel
Small conductance calcium activated potassium channel protein 3
Uniprot Accession Number
Function
Blocker
Species
Rattus norvegicus (Rat)
IC50
IC50: >30000 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
Not mention
Test Method
Flux assay (Thallium ion)
Test Species
Not specified
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
17
Rotatable Bonds
2
logP
3.2671
Complexity
68.576
TPSA (Ų)
38.67
H-Bond Donors
0
H-Bond Acceptors
4
Ring Count
3