Molecular Details
DICL_CP_0322629
- 1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0322629
PubChem CID
Molecular Formula
C17H26ClN Molecular Weight
279.855 g/mol
Synonyms/Alias
[sibutramine; 106650-56-0; Medaria; Sibutraminum [Latin]; Sibutramina [Spanish]; Butramin; (+/-)-Sibutramine; Sibutramine hydrochloride; racemic sibutramine; 1-[1-(4-chlorophenyl)cyclobutyl]-N;N;3-tri...
InChI Key
UNAANXDKBXWMLN-UHFFFAOYSA-N
InChI
InChI=1S/C17H26ClN/c1-13(2)12-16(19(3)4)17(10-5-11-17)14-6-8-15(18)9-7-14/h6-9,13,16H,5,10-12H2,1-4H...
IUPAC Name
1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine
CAS Number
106650-56-0
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
45 46 0 0 0 0 0 0 0 0999 V2000
-2.4589 2.3204 0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7468 1.2001 -0.5351 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6168 0.744...
Experimental Data
Activity Data
Target Ion Channel
Voltage-gated potassium channel subfamily C member 1
Uniprot Accession Number
Function
Blocker
Species
Homo sapiens (Human)
IC50
IC50: 32700 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 7.3
Holding Potential
−80 mV mV
Temperature
22–24 °C
Test Method
Patch-clamping
Test Species
CHO cell (Chinese hamster ovary cell)
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
19
Rotatable Bonds
5
logP
4.738
Complexity
83.911
TPSA (Ų)
3.24
H-Bond Donors
0
H-Bond Acceptors
1
Ring Count
2