Molecular Details
DICL_CP_0353684
- 1-(3-chlorophenyl)-3-[5-(cyclopropylmethyl)-2-phenylpyrazol-3-yl]urea
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0353684
PubChem CID
Molecular Formula
C20H19ClN4O Molecular Weight
366.852 g/mol
Synonyms/Alias
[CHEMBL2409101; BDBM50437988; VU0475924-1]
InChI Key
JKYYHANCMQDUCZ-UHFFFAOYSA-N
InChI
InChI=1S/C20H19ClN4O/c21-15-5-4-6-16(12-15)22-20(26)23-19-13-17(11-14-9-10-14)24-25(19)18-7-2-1-3-8-...
IUPAC Name
1-(3-chlorophenyl)-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
45 48 0 0 0 0 0 0 0 0999 V2000
-3.0196 3.5987 -1.2391 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4917 3.8096 -0.9195 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9235 2.400...
Experimental Data
Activity Data
Target Ion Channel
ATP sensitive inward rectifier potassium channel 11-Delta26
Uniprot Accession Number
Function
Blocker
Species
Rattus norvegicus (Rat)
IC50
IC50: 3000 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
26
Rotatable Bonds
5
logP
5.1222
Complexity
104.0854
TPSA (Ų)
58.95
H-Bond Donors
2
H-Bond Acceptors
3
Ring Count
4