Molecular Details
DICL_CP_0308114
- cyclopropyl(piperazin-1-yl)metha
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0308114
PubChem CID
Molecular Formula
C8H14N2O Molecular Weight
154.213 g/mol
Synonyms/Alias
[1-(Cyclopropylcarbonyl)piperazine; 59878-57-8; cyclopropyl(piperazin-1-yl)metha; 1-cyclopropanecarbonylpiperazine; Cyclopropyl-piperazin-1-yl-metha; Piperazine; 1-(cyclopropylcarbonyl)-; 1-cyclopropy...
InChI Key
KIALFUYSJAAJSU-UHFFFAOYSA-N
InChI
InChI=1S/C8H14N2O/c11-8(7-1-2-7)10-5-3-9-4-6-10/h7,9H,1-6H2
IUPAC Name
cyclopropyl(piperazin-1-yl)metha
CAS Number
763113-22-0
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
25 26 0 0 0 0 0 0 0 0999 V2000
-3.3459 0.4978 0.3751 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5702 -0.7230 -0.0852 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1625 0.661...
Experimental Data
Activity Data
Target Ion Channel
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3
Uniprot Accession Number
Function
Agonist
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: 26000 nM
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
Not mention
Holding Potential
Not specified
Temperature
25 °C
Test Method
Binding assay ([3H] epibatidine)
Test Species
SH-EP1 cell
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
11
Rotatable Bonds
1
logP
-0.1718
Complexity
42.1737
TPSA (Ų)
32.34
H-Bond Donors
1
H-Bond Acceptors
2
Ring Count
2