Molecular Details
DICL_CP_0350431
- 1-(5-methyl-2-phenylpyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]urea
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0350431
PubChem CID
Molecular Formula
C18H15F3N4O Molecular Weight
360.339 g/mol
Synonyms/Alias
[SCHEMBL13234485; UBMACELZYPDYSR-UHFFFAOYSA-N; 1-(5-methyl-2-phenylpyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]urea; CCG-237850; VU0455468-1]
InChI Key
UBMACELZYPDYSR-UHFFFAOYSA-N
InChI
InChI=1S/C18H15F3N4O/c1-12-10-16(25(24-12)15-8-3-2-4-9-15)23-17(26)22-14-7-5-6-13(11-14)18(19,20)21/...
IUPAC Name
1-(5-methyl-2-phenylpyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]urea
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 43 0 0 0 0 0 0 0 0999 V2000
-3.3710 3.8959 1.5433 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8894 2.5987 0.9861 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6867 1.706...
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: 6970 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
26
Rotatable Bonds
3
logP
4.8435
Complexity
92.3864
TPSA (Ų)
58.95
H-Bond Donors
2
H-Bond Acceptors
3
Ring Count
3