LOPERAMIDE HYDROCHLORIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1976)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 77TI35393C
Parent Compound: LOPERAMIDE

Structure
InChI Key PGYPOBZJRVSMDS-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
AGONIST Mu opioid receptor 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
- 123 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 52

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Parent
Mixture

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Injury, poisoning and procedural complications
23.23
General disorders and administration site conditions
14.48
Gastrointestinal disorders
13.4
Psychiatric disorders
7.83
Cardiac disorders
7.61
Nervous system disorders
7.24
Investigations
3.9
Product issues
3.56
Respiratory, thoracic and mediastinal disorders
3.34
Vascular disorders
3.09
Skin and subcutaneous tissue disorders
2.82

Cross References

Resources Reference
ChEBI 6533
ChEMBL CHEMBL1707
EPA CompTox DTXSID00880006
FDA SRS 77TI35393C
Guide to Pharmacology 7215
KEGG C07080
PubChem 71420
SureChEMBL SCHEMBL15048
ZINC ZINC00537928
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