Molecular Details
DICL_CP_0418945
- N-[5-[2-(2-cyanopropan-2-yl)pyridin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0418945
PubChem CID
Molecular Formula
C20H17F3N6O3S Molecular Weight
478.456 g/mol
Synonyms/Alias
[Trpvicin; N-(5-(2-(2-cyanopropan-2-yl)pyridin-4-yl)-4-(trifluoromethyl)thiazol-2-yl)-4;6-dimethoxypyrimidine-5-carboxamide; N-[5-[2-(2-cyanopropan-2-yl)pyridin-4-yl]-4-(trifluoromethyl)-1;3-thiazol-2...
InChI Key
CPIDEBBXBVMQOC-UHFFFAOYSA-N
InChI
InChI=1S/C20H17F3N6O3S/c1-19(2,8-24)11-7-10(5-6-25-11)13-14(20(21,22)23)28-18(33-13)29-15(30)12-16(3...
IUPAC Name
N-[5-[2-(2-cyanopropan-2-yl)pyridin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide
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
50 52 0 0 0 0 0 0 0 0999 V2000
-6.3534 0.6541 -1.3069 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4060 1.3567 -2.2953 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1343 1.552...
Experimental Data
Activity Data
Target Ion Channel
Transient receptor potential cation channel subfamily V member 3
Uniprot Accession Number
Function
Inhibitor
Species
Mus musculus (Mouse)
IC50
IC50: 380 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
Extracellular solution pH 7.4/Intracellular solution pH 7.2
Holding Potential
−80 mV mV
Temperature
Room Temperature
Test Method
Patch-clamping
Test Species
HEK293T cell (Homo sapiens embryonic kidney 293T cell)
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
33
Rotatable Bonds
6
logP
4.0846
Complexity
112.0752
TPSA (Ų)
122.91
H-Bond Donors
1
H-Bond Acceptors
9
Ring Count
3