Molecular Details
DICL_CP_0322364
- 5-(1,3-dithiolan-2-ylidene)-4-methyl-5-phenylpentan-2-one
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0322364
PubChem CID
Molecular Formula
C15H18OS2 Molecular Weight
278.442 g/mol
Synonyms/Alias
[Transient receptor potential cation channel subfamily V member 2 (TRPV2)-selective Blocker 1; 2242724-49-6; HY-157131; CS-0906000; 10.14272/RCALJRZMLQRHLX-UHFFFAOYSA-N; 10.14272/RCALJRZMLQRHLX-UHFFFA...
InChI Key
RCALJRZMLQRHLX-UHFFFAOYSA-N
InChI
InChI=1S/C15H18OS2/c1-11(10-12(2)16)14(15-17-8-9-18-15)13-6-4-3-5-7-13/h3-7,11H,8-10H2,1-2H3
IUPAC Name
5-(1,3-dithiolan-2-ylidene)-4-methyl-5-phenylpentan-2-one
CAS Number
2242724-49-6
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
36 37 0 0 0 0 0 0 0 0999 V2000
2.4090 -0.0255 -0.8564 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2125 -0.0279 0.1087 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1036 1.279...
Experimental Data
Activity Data
Target Ion Channel
Transient receptor potential cation channel subfamily V member 2
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: 6300 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
Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay
Test Species
Not specified
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
18
Rotatable Bonds
4
logP
4.4504
Complexity
82.74
TPSA (Ų)
17.07
H-Bond Donors
0
H-Bond Acceptors
3
Ring Count
2