Molecular Details
DICL_CP_0337230
- 1-(3,4-difluorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0337230
PubChem CID
Molecular Formula
C17H14F2N4O Molecular Weight
328.322 g/mol
Synonyms/Alias
[1443246-62-5; ML297; ML 297; 1-(3;4-difluorophenyl)-3-(3-methyl-1-phenyl-1H-pyrazol-5-yl)urea; ML-297; N-(3;4-Difluorophenyl)-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)urea; 1-(3;4-difluorophenyl)-3-(5-me...
InChI Key
IEKSMUSSYJUQMY-UHFFFAOYSA-N
InChI
InChI=1S/C17H14F2N4O/c1-11-9-16(23(22-11)13-5-3-2-4-6-13)21-17(24)20-12-7-8-14(18)15(19)10-12/h2-10H...
IUPAC Name
1-(3,4-difluorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea
CAS Number
1443246-62-5
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
38 40 0 0 0 0 0 0 0 0999 V2000
-2.4681 4.3000 -0.7947 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1578 2.8533 -0.6044 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0935 1.886...
Experimental Data
Activity Data
Target Ion Channel
G protein activated inward rectifier potassium channel 1 (Kir3.1)/3.2
Uniprot Accession Number
Function
Blocker
Species
Rattus norvegicus (Rat)
IC50
IC50: 3400 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
Not mention
Holding Potential
Not mention mV
Temperature
Not mention
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
3
logP
4.1029
Complexity
87.3004
TPSA (Ų)
58.95
H-Bond Donors
2
H-Bond Acceptors
3
Ring Count
3