Molecular Details
DICL_CP_0455567
- (3-(((3-((2-chlorophenyl)(phenyl)(1H-pyrazol-1-yl)methyl)phenoxy)carbonyl)amino)propyl)triphenylphosphonium iodide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0455567
PubChem CID
N/A (Not available)
Molecular Formula
C44H38ClIN3O2P Molecular Weight
834.138 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
LTWXUFNOLSDXET-UHFFFAOYSA-N
InChI
InChI=1S/C44H37ClN3O2P.HI/c45-42-29-14-13-28-41(42)44(48-32-16-31-47-48,35-18-5-1-6-19-35)36-20-15-2...
IUPAC Name
(3-(((3-((2-chlorophenyl)(phenyl)(1H-pyrazol-1-yl)methyl)phenoxy)carbonyl)amino)propyl)triphenylphosphonium iodide
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
90 95 0 0 0 0 0 0 0 0999 V2000
1.1223 -1.2417 -0.7388 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5516 -0.8341 0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7595 -0.265...
Experimental Data
Activity Data
Target Ion Channel
Intermediate conductance calcium activated potassium channel protein 4
Uniprot Accession Number
Function
Inhibitor
Species
Mus musculus (Mouse)
IC50
IC50: 7500 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 7.25
Holding Potential
−100 to 140 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
52
Rotatable Bonds
12
logP
5.8533
Complexity
210.5017
TPSA (Ų)
56.15
H-Bond Donors
1
H-Bond Acceptors
4
Ring Count
7