Molecular Details
DICL_CP_0320209
- N-(4-methylpyridin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0320209
PubChem CID
Molecular Formula
C14H12N4S Molecular Weight
268.345 g/mol
Synonyms/Alias
[CHEMBL476339; GNF-Pf-4739; SCHEMBL5157963; SMSSF-0625076; BDBM50263327; AKOS024284063; AMS_CNC_ID-1808625351; PD119481; DB-212836; 2-(4-methylpyridylamino)-4-(2-pyridyl)thiazole; SR-01000477175; SR-0...
InChI Key
QMEBVRXZLKAAIG-UHFFFAOYSA-N
InChI
InChI=1S/C14H12N4S/c1-10-5-7-16-13(8-10)18-14-17-12(9-19-14)11-4-2-3-6-15-11/h2-9H,1H3,(H,16,17,18)
IUPAC Name
N-(4-methylpyridin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CAS Number
35865-11-3
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
31 33 0 0 0 0 0 0 0 0999 V2000
6.0834 -0.7953 0.1362 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8256 0.0217 0.1212 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5751 -0.605...
Experimental Data
Activity Data
Target Ion Channel
Small conductance calcium activated potassium channel protein 2
Uniprot Accession Number
Function
Blocker
Species
Rattus norvegicus (Rat)
IC50
IC50: 59 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
Binding assay ([125I]-apamin)
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
19
Rotatable Bonds
3
logP
3.6521
Complexity
77.6017
TPSA (Ų)
50.7
H-Bond Donors
1
H-Bond Acceptors
5
Ring Count
3