Molecular Details
DICL_CP_0373602
- 1-[2-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)propoxy]ethyl]imidazole;hydrochloride
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0373602
PubChem CID
Molecular Formula
C22H27ClN2O3 Molecular Weight
402.922 g/mol
Synonyms/Alias
[130495-35-1; SKF-96365 hydrochloride; SKF 96365 HYDROCHLORIDE; SKF-96365; SKF96365; SK&F 96365; SKF-96365 (hydrochloride); 1-(2-(3-(4-Methoxyphenyl)propoxy)-4-methoxyphenylethyl)-1H-imidazole hyd...
InChI Key
FWLPKVQUECFKSW-UHFFFAOYSA-N
InChI
InChI=1S/C22H26N2O3.ClH/c1-25-20-9-5-18(6-10-20)4-3-15-27-22(16-24-14-13-23-17-24)19-7-11-21(26-2)12...
IUPAC Name
1-[2-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)propoxy]ethyl]imidazole;hydrochloride
CAS Number
130495-35-1
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
55 56 0 0 0 0 0 0 0 0999 V2000
5.1973 3.7026 0.1402 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6561 2.8905 -0.8966 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2854 1.546...
Experimental Data
Activity Data
Target Ion Channel
Ryanodine receptor 1
Uniprot Accession Number
Function
Blocker
Species
Homo sapiens (Human)
IC50
IC50: 5100 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
Not specified
Temperature
37 °C
Test Method
Efflux Assay ([86] Rubidium Ion)
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
28
Rotatable Bonds
10
logP
4.7128
Complexity
112.477
TPSA (Ų)
45.51
H-Bond Donors
0
H-Bond Acceptors
5
Ring Count
3