Molecular Details
DICL_CP_0317833
- 4-pyridin-2-yl-2-(pyridin-2-ylmethyl)-1,3-thiazole
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0317833
PubChem CID
Molecular Formula
C14H11N3S Molecular Weight
253.33 g/mol
Synonyms/Alias
[CHEMBL523462; BDBM50264072; 2-(2-(pyridin-2-ylmethyl)thiazol-4-yl)pyridine]
InChI Key
PRDBWXKZNUDZAP-UHFFFAOYSA-N
InChI
InChI=1S/C14H11N3S/c1-3-7-15-11(5-1)9-14-17-13(10-18-14)12-6-2-4-8-16-12/h1-8,10H,9H2
IUPAC Name
4-pyridin-2-yl-2-(pyridin-2-ylmethyl)-1,3-thiazole
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
29 31 0 0 0 0 0 0 0 0999 V2000
-3.5455 -0.7614 1.7181 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5933 0.0704 1.3191 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7121 0.421...
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
18
Rotatable Bonds
3
logP
3.1909
Complexity
72.388
TPSA (Ų)
38.67
H-Bond Donors
0
H-Bond Acceptors
4
Ring Count
3