Molecular Details
DICL_CP_0309131
- 2-methyl-5-piperidin-4-yl-1,3,4-oxadiazole
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0309131
PubChem CID
Molecular Formula
C8H13N3O Molecular Weight
167.212 g/mol
Synonyms/Alias
[161609-79-6; 4-(5-methyl-1;3;4-oxadiazol-2-yl)piperidine; 2-METHYL-5-(PIPERIDIN-4-YL)-1;3;4-OXADIAZOLE; 2-methyl-5-piperidin-4-yl-1;3;4-oxadiazole; Piperidine; 4-(5-methyl-1;3;4-oxadiazol-2-yl)-; CHE...
InChI Key
NEHQWJALQCSBBX-UHFFFAOYSA-N
InChI
InChI=1S/C8H13N3O/c1-6-10-11-8(12-6)7-2-4-9-5-3-7/h7,9H,2-5H2,1H3
IUPAC Name
2-methyl-5-piperidin-4-yl-1,3,4-oxadiazole
CAS Number
1428862-32-1
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
4.2509 -0.4384 0.5417 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0090 0.0213 -0.1415 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9943 0.743...
Experimental Data
Activity Data
Target Ion Channel
Gamma-aminobutyric acid receptor subunit alpha-6
Uniprot Accession Number
Function
Agonist
Species
Rattus norvegicus (Rat)
IC50
IC50: 76000 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
Not specified
Temperature
Room Temperature
Test Method
Binding assay
Test Species
Not specified
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
GABA Binding Site
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
12
Rotatable Bonds
1
logP
0.845
Complexity
43.8797
TPSA (Ų)
50.95
H-Bond Donors
1
H-Bond Acceptors
4
Ring Count
2