Molecular Details
DICL_CP_0395819
- N-(furan-2-ylmethyl)-3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0395819
PubChem CID
Molecular Formula
C20H18F3N3O3S Molecular Weight
437.443 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
YPQXOBXOYSDUMF-UHFFFAOYSA-N
InChI
InChI=1S/C20H18F3N3O3S/c1-28-14-6-4-13(5-7-14)16-11-17(20(21,22)23)26-19(25-16)30-10-8-18(27)24-12-1...
IUPAC Name
N-(furan-2-ylmethyl)-3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
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
48 50 0 0 0 0 0 0 0 0999 V2000
-8.9626 -0.4003 0.3954 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7875 -1.0886 0.8117 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4827 -0.601...
Experimental Data
Activity Data
Target Ion Channel
Transient receptor potential cation channel subfamily V member 2
Uniprot Accession Number
Function
Antagonist
Species
Mus musculus (Mouse)
IC50
IC50: 460 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 7.3
Holding Potential
−60 mV mV
Temperature
25 °C
Test Method
Patch-clamping
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
30
Rotatable Bonds
8
logP
4.5626
Complexity
104.9177
TPSA (Ų)
77.25
H-Bond Donors
1
H-Bond Acceptors
6
Ring Count
3