Molecular Details
DICL_CP_0331306
- 2-[6-(1H-benzimidazol-2-yl)pyridin-2-yl]-1H-benzimidazole
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0331306
PubChem CID
Molecular Formula
C19H13N5 Molecular Weight
311.348 g/mol
Synonyms/Alias
[28020-73-7; 26-Bis(2-benzimidazolyl)pyridine; 26-Bis(1H-benzo[d]imidazol-2-yl)pyridine; 26-bis(benzimidazol-2-yl)pyridine; 26-bis(2-benzimidazyl)pyridine; TCMDC-123507; 26-Di(1H-benzo[d]imidazol-2-yl...
InChI Key
JBKICBDXAZNSKA-UHFFFAOYSA-N
InChI
InChI=1S/C19H13N5/c1-2-7-13-12(6-1)21-18(22-13)16-10-5-11-17(20-16)19-23-14-8-3-4-9-15(14)24-19/h1-1...
IUPAC Name
2-[6-(1H-benzimidazol-2-yl)pyridin-2-yl]-1H-benzimidazole
CAS Number
28020-73-7
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
24 28 0 0 0 0 0 0 0 0999 V2000
-6.4721 -2.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2221 -1.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4721 0...
Experimental Data
Activity Data
Target Ion Channel
Small conductance Calcium activated potassium channel protein 1
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: 700 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
−80 to 80 mV mV
Temperature
19 °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
24
Rotatable Bonds
2
logP
4.1682
Complexity
94.4124
TPSA (Ų)
70.25
H-Bond Donors
2
H-Bond Acceptors
3
Ring Count
5