Molecular Details
DICL_CP_0370293
- 2,6-difluoro-N-[1-[[4-hydroxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0370293
PubChem CID
Molecular Formula
C18H12F5N3O2 Molecular Weight
397.303 g/mol
Synonyms/Alias
[GSK-7975A; 1253186-56-9; 2;6-difluoro-N-(1-(4-hydroxy-2-(trifluoromethyl)benzyl)-1H-pyrazol-3-yl)benzamide; 2;6-difluoro-N-[1-[[4-hydroxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide; CHEM...
InChI Key
CPYTVBALBFSXSH-UHFFFAOYSA-N
InChI
InChI=1S/C18H12F5N3O2/c19-13-2-1-3-14(20)16(13)17(28)24-15-6-7-26(25-15)9-10-4-5-11(27)8-12(10)18(21...
IUPAC Name
2,6-difluoro-N-[1-[[4-hydroxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide
CAS Number
1253186-56-9
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
40 42 0 0 0 0 0 0 0 0999 V2000
-6.5226 -1.2939 1.5302 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2138 -1.4348 1.9941 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1333 -1.134...
Experimental Data
Activity Data
Target Ion Channel
Ryanodine receptor 2
Uniprot Accession Number
Function
Activator
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
Kd: 45 nM
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
Not specified
Temperature
37 °C
Test Method
Binding assay ([3H] ryanodine)
Test Species
Not specified
Binding Information
Binding Site
Transmembrane domain
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
28
Rotatable Bonds
4
logP
4.1863
Complexity
88.749
TPSA (Ų)
67.15
H-Bond Donors
2
H-Bond Acceptors
4
Ring Count
3