Molecular Details
DICL_CP_0307429
- 8-methyl-8-azabicyclo[3.2.1]octane
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307429
PubChem CID
Molecular Formula
C8H15N Molecular Weight
125.215 g/mol
Synonyms/Alias
[Tropane; 529-17-9; 8-Methyl-8-azabicyclo[3.2.1]octane; SCHEMBL44882; DTXSID50879243; MFCD24390172; AKOS030627455; AS-47573; DB-052206; F14365; Tropane (6CI;7CI;8CI); 8-Methyl-8-azabicyclo[3.2.1]octan...
InChI Key
XLRPYZSEQKXZAA-UHFFFAOYSA-N
InChI
InChI=1S/C8H15N/c1-9-7-3-2-4-8(9)6-5-7/h7-8H,2-6H2,1H3
IUPAC Name
8-methyl-8-azabicyclo[3.2.1]octane
CAS Number
183793-33-1
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
24 25 0 0 0 0 0 0 0 0999 V2000
2.2217 -0.6396 -0.8033 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7700 -0.6997 -0.5545 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0661 0.478...
Experimental Data
Activity Data
Target Ion Channel
Neuronal acetylcholine receptor subunit alpha-7
Uniprot Accession Number
Function
Activator
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
EC50: 103000 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.6
Holding Potential
−60 mV 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
9
Rotatable Bonds
0
logP
1.6331
Complexity
38.424
TPSA (Ų)
3.24
H-Bond Donors
0
H-Bond Acceptors
1
Ring Count
2