Molecular Details
DICL_CP_0319414
- N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-benzimidazol-2-amine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0319414
PubChem CID
Molecular Formula
C17H17N3 Molecular Weight
263.344 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
XZIZUQSOFMLIIR-CQSZACIVSA-N
InChI
InChI=1S/C17H17N3/c1-2-8-13-12(6-1)7-5-11-14(13)18-17-19-15-9-3-4-10-16(15)20-17/h1-4,6,8-10,14H,5,7...
IUPAC Name
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-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
37 40 0 0 0 0 0 0 0 0999 V2000
-2.4038 -2.1163 -0.4464 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1287 -1.3725 -0.8350 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9052 -0.151...
Experimental Data
Activity Data
Target Ion Channel
Transient receptor potential cation channel subfamily M member 7
Uniprot Accession Number
Function
Inhibitor
Species
Mus musculus (Mouse)
IC50
IC50: 3900 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
37 °C
Test Method
Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay (Cation-imaging assay)
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
20
Rotatable Bonds
2
logP
4.0524
Complexity
81.8374
TPSA (Ų)
40.71
H-Bond Donors
2
H-Bond Acceptors
2
Ring Count
4