Synonyms: | |
Status: | Approved (1953) |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
UNII: | VDR09VTQ8U |
InChI Key | LZCOQTDXKCNBEE-IKIFYQGPSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C18H24NO4+ |
Molecular Weight | 318.39 |
AlogP | 1.06 |
Hydrogen Bond Acceptor | 4.0 |
Hydrogen Bond Donor | 1.0 |
Number of Rotational Bond | 4.0 |
Polar Surface Area | 59.06 |
Molecular species | NEUTRAL |
Aromatic Rings | 1.0 |
Heavy Atoms | 23.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Acetylcholine receptor
|
0-0 | 4-501 | 1-1 | 0-11 | - |
Resources | Reference |
---|---|
ChEBI | 135361 |
ChEMBL | CHEMBL376897 |
DrugBank | DB11315 |
DrugCentral | 1757 |
EPA CompTox | DTXSID0046931 |
FDA SRS | VDR09VTQ8U |
Human Metabolome Database | HMDB0014605 |
PDB | 3C0 |
SureChEMBL | SCHEMBL65398 |
ZINC | ZINC000100047524 |