Molecular Details
DICL_CP_0341297
- 1-(5-methyl-2-phenylpyrazol-3-yl)-3-(2-methylsulfanylphenyl)urea
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0341297
PubChem CID
Molecular Formula
C18H18N4OS Molecular Weight
338.436 g/mol
Synonyms/Alias
[VU0453547-1]
InChI Key
SCQDAPKGCCVORY-UHFFFAOYSA-N
InChI
InChI=1S/C18H18N4OS/c1-13-12-17(22(21-13)14-8-4-3-5-9-14)20-18(23)19-15-10-6-7-11-16(15)24-2/h3-12H,...
IUPAC Name
1-(5-methyl-2-phenylpyrazol-3-yl)-3-(2-methylsulfanylphenyl)urea
CAS Number
1163719-91-2
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
42 44 0 0 0 0 0 0 0 0999 V2000
-3.7523 -3.9752 -1.0851 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1554 -2.6642 -0.6974 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8705 -1.533...
Experimental Data
Activity Data
Target Ion Channel
ATP sensitive inward rectifier potassium channel 1
Uniprot Accession Number
Function
Inhibitor
Species
Mus musculus (Mouse)
IC50
IC50: 7070 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 7.4
Holding Potential
−70 mV mV
Temperature
37 °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
24
Rotatable Bonds
4
logP
4.5466
Complexity
99.1654
TPSA (Ų)
58.95
H-Bond Donors
2
H-Bond Acceptors
4
Ring Count
3