Molecular Details
DICL_CP_0333501
- 1-benzyl-N-[(3-methylfuran-2-yl)methyl]benzimidazol-2-amine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0333501
PubChem CID
Molecular Formula
C20H19N3O Molecular Weight
317.392 g/mol
Synonyms/Alias
[CHEMBL4540486; BDBM50518459]
InChI Key
ABXGMDOMJQSQQC-UHFFFAOYSA-N
InChI
InChI=1S/C20H19N3O/c1-15-11-12-24-19(15)13-21-20-22-17-9-5-6-10-18(17)23(20)14-16-7-3-2-4-8-16/h2-12...
IUPAC Name
1-benzyl-N-[(3-methylfuran-2-yl)methyl]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
43 46 0 0 0 0 0 0 0 0999 V2000
-4.4413 -1.0478 1.4714 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1340 -1.8094 0.2219 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2990 -1.422...
Experimental Data
Activity Data
Target Ion Channel
Short transient receptor potential channel 5
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: 6930 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
−60 mV mV
Temperature
Not mention
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
5
logP
4.5981
Complexity
96.0487
TPSA (Ų)
42.99
H-Bond Donors
1
H-Bond Acceptors
4
Ring Count
4