Molecular Details
DICL_CP_0338820
- 1-(5-cyclopropyl-2-phenylpyrazol-3-yl)-3-(3-methylphenyl)urea
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0338820
PubChem CID
Molecular Formula
C20H20N4O Molecular Weight
332.407 g/mol
Synonyms/Alias
[CHEMBL2409119; BDBM50437962]
InChI Key
PZPIHPWBSGLFFH-UHFFFAOYSA-N
InChI
InChI=1S/C20H20N4O/c1-14-6-5-7-16(12-14)21-20(25)22-19-13-18(15-10-11-15)23-24(19)17-8-3-2-4-9-17/h2...
IUPAC Name
1-(5-cyclopropyl-2-phenylpyrazol-3-yl)-3-(3-methylphenyl)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
6.7340 -0.3106 -2.1731 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6743 0.1757 -1.2292 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3784 -0.361...
Experimental Data
Activity Data
Target Ion Channel
G protein activated inward rectifier potassium channel 1 (Kir3.1)/3.4
Uniprot Accession Number
Function
Blocker
Species
Rattus norvegicus (Rat)
IC50
IC50: 3100 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
25
Rotatable Bonds
4
logP
4.7021
Complexity
99.3594
TPSA (Ų)
58.95
H-Bond Donors
2
H-Bond Acceptors
3
Ring Count
4