Molecule Details
InChIKeyRDOIQAHITMMDAJ-UHFFFAOYSA-N
Compound NameLoperamide
Canonical SMILESCN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)13
Pfam Stratification Cross-Family
Avg pChEMBL6.89
SourceBindingDB;ChEMBL
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB00836
Drug NameLoperamide
CAS Number53179-11-6
Groups approved investigational
ATC Codes A07DA53 A07DA03
DescriptionLoperamide is an anti-diarrheal agent that is available as an over-the-counter product for treating diarrhea.[L42785] The drug was first synthesized in 1969 and used medically in 1976.[A251610] It is a highly lipophilic synthetic phenylpiperidine opioid that works by binding to mu-opioid receptors o...

Categories: Agents causing hyperkalemia Alimentary Tract and Metabolism Antiarrhythmic agents Antidiarrheals Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents Antipropulsives Bradycardia-Causing Agents Cytochrome P-450 CYP2B6 Substrates Cytochrome P-450 CYP2C8 Substrates Cytochrome P-450 CYP2D6 Substrates Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (strength unknown) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Gastrointestinal Agents Moderate Risk QTc-Prolonging Agents Opioid Agonist P-glycoprotein substrates Piperidines QTc Prolonging Agents
Cross-references: BindingDB: 50017698 ChEBI: 6532 CHEMBL841 ChemSpider: 3818 Drugs Product Database (DPD): 2251 C07080 D08144 PharmGKB: PA450262 PubChem:3955 PubChem:46504591 RxCUI: 6468 Therapeutic Targets Database: DAP000425 Wikipedia: Loperamide ZINC: ZINC000000537928
Target Activities (13)
Target Gene Organism Category Pfam pChEMBL Type Source
P35372 OPRM1 Homo sapiens Human PF00001 9.2 Ki ChEMBL;BindingDB
Q12809 KCNH2 Homo sapiens Human PF00027 PF00520 PF13426 7.5 IC50 ChEMBL;BindingDB
Q5BJF2 TMEM97 Homo sapiens Human PF05241 7.4 Ki ChEMBL
P41145 OPRK1 Homo sapiens Human PF00001 6.8 IC50 ChEMBL;BindingDB
Q14524 SCN5A Homo sapiens Human PF00520 PF24609 PF06512 PF11933 6.6 IC50 ChEMBL;BindingDB
P41143 OPRD1 Homo sapiens Human PF00001 6.6 IC50 ChEMBL;BindingDB
Q99720 SIGMAR1 Homo sapiens Human PF04622 6.6 Ki ChEMBL
P35498 SCN1A Homo sapiens Human PF00520 PF24609 PF06512 PF11933 6.6 IC50 ChEMBL;BindingDB
Q99250 SCN2A Homo sapiens Human PF00520 PF24609 PF06512 PF11933 6.6 IC50 ChEMBL
Q9NY46 SCN3A Homo sapiens Human PF00520 PF24609 PF06512 PF11933 6.6 IC50 ChEMBL
P41595 HTR2B Homo sapiens Human PF00001 6.4 Ki ChEMBL
P35462 DRD3 Homo sapiens Human PF00001 6.3 Ki ChEMBL
P31645 SLC6A4 Homo sapiens Human PF03491 PF00209 6.3 Ki ChEMBL
DrugBank Target Actions (13)
Target Gene Target Name Action Type
P08684 CYP3A4 Cytochrome P450 3A4 inhibitor enzymes
P08684 CYP3A4 Cytochrome P450 3A4 substrate enzymes
P10632 CYP2C8 Cytochrome P450 2C8 substrate enzymes
P10635 CYP2D6 Cytochrome P450 2D6 substrate enzymes
P20813 CYP2B6 Cytochrome P450 2B6 substrate enzymes
P35372 OPRM1 Mu-type opioid receptor agonist targets
P41143 OPRD1 Delta-type opioid receptor agonist targets
P41145 OPRK1 Kappa-type opioid receptor agonist targets
O00555 CACNA1A Voltage-dependent P/Q-type calcium channel subunit alpha-1A blocker targets
Q12809 KCNH2 Voltage-gated inwardly rectifying potassium channel KCNH2 blocker targets
P0DP23 CALM1 Calmodulin inhibitor targets
P01189 P01189 Pro-opiomelanocortin modulator targets
P08183 ABCB1 ATP-dependent translocase ABCB1 substrate transporters