Molecular Details
DICL_CP_0345797
- 2-(3-chloro-4-fluorophenyl)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)acetamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0345797
PubChem CID
Molecular Formula
C18H21ClFN3O Molecular Weight
349.837 g/mol
Synonyms/Alias
[2126040-21-7; VU0810464; 2-(3-chloro-4-fluorophenyl)-N-(1-cyclohexyl-3-methyl-1H-pyrazol-5-yl)acetamide; 2-(3-chloro-4-fluorophenyl)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)acetamide; CHEMBL5189637; GTP...
InChI Key
HNJJARDABGKWSO-UHFFFAOYSA-N
InChI
InChI=1S/C18H21ClFN3O/c1-12-9-17(23(22-12)14-5-3-2-4-6-14)21-18(24)11-13-7-8-16(20)15(19)10-13/h7-10...
IUPAC Name
2-(3-chloro-4-fluorophenyl)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)acetamide
CAS Number
2126040-21-7
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
45 47 0 0 0 0 0 0 0 0999 V2000
-0.3691 -4.7580 -1.5850 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5430 -3.3265 -1.2001 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6440 -2.834...
Experimental Data
Activity Data
Target Ion Channel
Inward rectifier potassium channel 2
Uniprot Accession Number
Function
Inhibitor
Species
Mus musculus (Mouse)
IC50
IC50: 14 (inward) 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
Not mention
Test Method
Patch-clamping
Test Species
Mice (SAN cells)
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
4.6704
Complexity
92.8297
TPSA (Ų)
46.92
H-Bond Donors
1
H-Bond Acceptors
3
Ring Count
3