Molecular Details
DICL_CP_0363433
- 1-(3-chloro-4-fluorophenyl)-3-[5-(cyclopropylmethyl)-2-phenylpyrazol-3-yl]urea
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0363433
PubChem CID
Molecular Formula
C20H18ClFN4O Molecular Weight
384.842 g/mol
Synonyms/Alias
[CHEMBL2409100; BDBM50437989; VU0475946-1]
InChI Key
BSHNBXWFTGFFHC-UHFFFAOYSA-N
InChI
InChI=1S/C20H18ClFN4O/c21-17-11-14(8-9-18(17)22)23-20(27)24-19-12-15(10-13-6-7-13)25-26(19)16-4-2-1-...
IUPAC Name
1-(3-chloro-4-fluorophenyl)-3-[5-(cyclopropylmethyl)-2-phenylpyrazol-3-yl]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
27 30 0 0 0 0 0 0 0 0999 V2000
-6.1567 -3.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8965 -4.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7473 -3...
Experimental Data
Activity Data
Target Ion Channel
ATP sensitive inward rectifier potassium channel 12
Uniprot Accession Number
Function
Inhibitor
Species
Rattus norvegicus (Rat)
IC50
IC50: 2900 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
27
Rotatable Bonds
5
logP
5.2613
Complexity
104.0434
TPSA (Ų)
58.95
H-Bond Donors
2
H-Bond Acceptors
3
Ring Count
4