Molecular Details
DICL_CP_0399584
- 3-chloro-4-[4-[4-fluoro-2-(trifluoromethyl)phenoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]pyrrole-2,5-dione
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0399584
PubChem CID
Molecular Formula
C18H11ClF4N4O3 Molecular Weight
442.756 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
OCZQLQZPYCOVIK-UHFFFAOYSA-N
InChI
InChI=1S/C18H11ClF4N4O3/c19-13-14(16(29)26-15(13)28)27-4-3-9-11(6-27)24-7-25-17(9)30-12-2-1-8(20)5-1...
IUPAC Name
3-chloro-4-[4-[4-fluoro-2-(trifluoromethyl)phenoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]pyrrole-2,5-dione
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
41 44 0 0 0 0 0 0 0 0999 V2000
-6.3710 1.4847 3.4962 F 0 0 0 0 0 0 0 0 0 0 0 0
-5.1760 1.3754 2.8631 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9955 1.333...
Experimental Data
Activity Data
Target Ion Channel
Short transient receptor potential channel 4
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: 65 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
Not mention
Test Method
Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay (Calcium ion)
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
30
Rotatable Bonds
3
logP
2.8917
Complexity
93.6507
TPSA (Ų)
84.42
H-Bond Donors
1
H-Bond Acceptors
6
Ring Count
4