Molecular Details
DICL_CP_0342731
- 1-(2-benzyl-5-methylpyrazol-3-yl)-3-(34-difluorophenyl)urea
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0342731
PubChem CID
Molecular Formula
C18H16F2N4O Molecular Weight
342.349 g/mol
Synonyms/Alias
[1448705-06-3; VU0466551; VU-0466551; CHEMBL2409110; 1-(1-Benzyl-3-methyl-1H-pyrazol-5-yl)-3-(34-difluorophenyl)urea; GLXC-20309; BDBM50437979; A1-26902; 1-(2-benzyl-5-methylpyrazol-3-yl)-3-(34-difluo...
InChI Key
FRKCJYHCVRFZIW-UHFFFAOYSA-N
InChI
InChI=1S/C18H16F2N4O/c1-12-9-17(24(23-12)11-13-5-3-2-4-6-13)22-18(25)21-14-7-8-15(19)16(20)10-14/h2-...
IUPAC Name
1-(2-benzyl-5-methylpyrazol-3-yl)-3-(34-difluorophenyl)urea
CAS Number
1448705-06-3
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
-1.5247 4.2747 2.2716 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3984 3.2885 1.1596 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4169 2.933...
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: >100000 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
Not mention 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
25
Rotatable Bonds
4
logP
4.162
Complexity
91.5074
TPSA (Ų)
58.95
H-Bond Donors
2
H-Bond Acceptors
3
Ring Count
3