Molecular Details
DICL_CP_0338488
- 1-benzyl-5-ethyl-N-(furan-2-ylmethyl)benzimidazol-2-amine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0338488
PubChem CID
Molecular Formula
C21H21N3O Molecular Weight
331.419 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
CKTHSNKTNFUNPZ-UHFFFAOYSA-N
InChI
InChI=1S/C21H21N3O/c1-2-16-10-11-20-19(13-16)23-21(22-14-18-9-6-12-25-18)24(20)15-17-7-4-3-5-8-17/h3...
IUPAC Name
1-benzyl-5-ethyl-N-(furan-2-ylmethyl)benzimidazol-2-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
46 49 0 0 0 0 0 0 0 0999 V2000
6.1554 0.4145 -0.4317 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6568 -0.6578 0.5317 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1752 -0.524...
Experimental Data
Activity Data
Target Ion Channel
Short transient receptor potential channel 4
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: 2060 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
Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay (Calcium ion)
Test Species
HEK-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
25
Rotatable Bonds
6
logP
4.8521
Complexity
100.6897
TPSA (Ų)
42.99
H-Bond Donors
1
H-Bond Acceptors
4
Ring Count
4