LOPERAMIDE HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 77TI35393C
EPA CompTox DTXSID00880006
Parent Compound: LOPERAMIDE

Structure

InChI Key PGYPOBZJRVSMDS-UHFFFAOYSA-N
Smiles CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1.Cl
InChI
InChI=1S/C29H33ClN2O2.ClH/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23;/h3-16,34H,17-22H2,1-2H3;1H

Physicochemical Descriptors

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

Pharmacology

Mechanism of Action Action Reference
Mu opioid receptor agonist AGONIST PubMed PubMed DailyMed
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
- 1.5-155 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 51.98-94.1
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 51.98-94.1

Target Conservation

Protein: Mu opioid receptor
Description: Mu-type opioid receptor
Organism : Homo sapiens
P35372 ENSG00000112038

Cross References

Resources Reference
ChEBI 6533
ChEMBL CHEMBL1707
FDA SRS 77TI35393C
Guide to Pharmacology 7215
KEGG C07080
PubChem 71420
SureChEMBL SCHEMBL15048
ZINC ZINC00537928
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