Molecular Details
DICL_CP_0328337
- 8-methyl-2-(5-phenyl-1H-pyrazol-4-yl)-3H-quinazolin-4-one
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0328337
PubChem CID
N/A (Not available)
Molecular Formula
C18H14N4O Molecular Weight
302.337 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
GFVMLCLBKUUMRU-UHFFFAOYSA-N
InChI
InChI=1S/C18H14N4O/c1-11-6-5-9-13-15(11)20-17(21-18(13)23)14-10-19-22-16(14)12-7-3-2-4-8-12/h2-10H,1...
IUPAC Name
8-methyl-2-(5-phenyl-1H-pyrazol-4-yl)-3H-quinazolin-4-one
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
37 40 0 0 0 0 0 0 0 0999 V2000
0.4879 0.4931 -3.1138 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8234 0.2502 -1.9220 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0377 -0.417...
Experimental Data
Activity Data
Target Ion Channel
Transient receptor potential cation channel subfamily M member 2
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
21.2% inhibition at 30 μM
Experimental Conditions
pH
pH 7.2 to 7.3
Holding Potential
−80 mV mV
Temperature
Room Temperature
Test Method
Patch-clamping
Test Species
HEK293 cell (Homo sapiens embryonic kidney 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
23
Rotatable Bonds
2
logP
3.2886
Complexity
90.1184
TPSA (Ų)
74.43
H-Bond Donors
2
H-Bond Acceptors
3
Ring Count
4