Molecular Details
DICL_CP_0320535
- 1-[(4-nitrophenyl)methylsulfonyl]pyrrolidine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0320535
PubChem CID
Molecular Formula
C11H14N2O4S Molecular Weight
270.31 g/mol
Synonyms/Alias
[340041-91-0; 1-((4-Nitrobenzyl)sulfonyl)pyrrolidine; 1-[(4-nitrophenyl)methylsulfonyl]pyrrolidine; N-[(4-Nitrophenyl)-methylsulfonyl]pyryolidine; 1-[(4-nitrobenzyl)sulfonyl]pyrrolidine; N-[(4-NITROPH...
InChI Key
RCEYIHLMZBWOJK-UHFFFAOYSA-N
InChI
InChI=1S/C11H14N2O4S/c14-13(15)11-5-3-10(4-6-11)9-18(16,17)12-7-1-2-8-12/h3-6H,1-2,7-9H2
IUPAC Name
1-[(4-nitrophenyl)methylsulfonyl]pyrrolidine
CAS Number
340041-91-0
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
18 19 0 0 0 0 0 0 0 0999 V2000
-4.6048 2.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4798 0.7908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5915 -0...
Experimental Data
Activity Data
Target Ion Channel
Potassium voltage-gated channel subfamily A member 3
Uniprot Accession Number
Function
Agonist
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
EC50: 280 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.2
Holding Potential
−80 to 40 mV mV
Temperature
Room Temperature
Test Method
Patch-clamping
Test Species
HEK293 cell (Homo sapiens embryonic kidney 293 cell)
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
18
Rotatable Bonds
4
logP
1.5204
Complexity
66.5272
TPSA (Ų)
80.52
H-Bond Donors
0
H-Bond Acceptors
4
Ring Count
2