Molecular Details
DICL_CP_0336837
- 1-(3-chlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0336837
PubChem CID
Molecular Formula
C17H15ClN4O Molecular Weight
326.787 g/mol
Synonyms/Alias
[SMR000458805; N-(3-chlorophenyl)-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)urea; ML297 Analog; Oprea1_495434; MLS000858726; MLS003871709; CHEMBL1427433; SCHEMBL13234481; HMS2776E16; CCG-254149; VU0340561-...
InChI Key
AQJUIEPFJCOCTD-UHFFFAOYSA-N
InChI
InChI=1S/C17H15ClN4O/c1-12-10-16(22(21-12)15-8-3-2-4-9-15)20-17(23)19-14-7-5-6-13(18)11-14/h2-11H,1H...
IUPAC Name
1-(3-chlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea
CAS Number
227622-85-7
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
-2.7503 -4.1744 -0.5056 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3518 -2.7503 -0.3099 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2264 -1.744...
Experimental Data
Activity Data
Target Ion Channel
Inwardly rectifying subfamily J member 13
Uniprot Accession Number
Function
Blocker
Species
Mus musculus (Mouse)
IC50
IC50: 6400 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
23
Rotatable Bonds
3
logP
4.4781
Complexity
92.3944
TPSA (Ų)
58.95
H-Bond Donors
2
H-Bond Acceptors
3
Ring Count
3