Trade Names: | |
Synonyms: | |
Status: | Approved (1976) |
Entry Type: | Small molecule |
Molecule Category: | Salt |
UNII: | 77TI35393C |
Parent Compound: | LOPERAMIDE |
InChI Key | PGYPOBZJRVSMDS-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C29H34Cl2N2O2 |
Molecular Weight | 513.51 |
AlogP | 5.09 |
Hydrogen Bond Acceptor | 3.0 |
Hydrogen Bond Donor | 1.0 |
Number of Rotational Bond | 7.0 |
Polar Surface Area | 43.78 |
Molecular species | BASE |
Aromatic Rings | 3.0 |
Heavy Atoms | 34.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Membrane receptor
Family A G protein-coupled receptor
Peptide receptor (family A GPCR)
Short peptide receptor (family A GPCR)
Opioid receptor
|
- | 123 | - | - | - | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 52 |
Resources | Reference |
---|---|
ChEBI | 6533 |
ChEMBL | CHEMBL1707 |
EPA CompTox | DTXSID00880006 |
FDA SRS | 77TI35393C |
Guide to Pharmacology | 7215 |
KEGG | C07080 |
PubChem | 71420 |
SureChEMBL | SCHEMBL15048 |
ZINC | ZINC00537928 |