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AMR Drug RepurposingSmart Screeningresearch prototype

Naldemedine Tosylate

FDA-approved product (tablet, oral), marketed as Symproic.

Registered studies
1
Lab records
0
Pathogens at ≥40%
3 of 4

Chemical structure

Chemical structure of Naldemedine Tosylate
A drawing shows what the molecule is, not what it does.

Existing / approved use

Documented · FDA, WHO, ChEMBL

Approved for

  • Constipation
  • Constipation disorder

Indications ChEMBL records as approved, from FDA and DailyMed labels. Label ↗

WHO therapeutic group
Peripheral opioid receptor antagonists
Anti-infective classification
Not classified as an anti-infective.

Repurposing investigation

This medicine is being investigated here for AI-predicted antimicrobial activity against MRSA, E. coli and M. tuberculosis. It was surfaced computationally for further investigation; it is not an established treatment for these infections.

AI-predicted activity

AI prediction · nothing measured
  • MRSA64.8% AI-predicted activityAt or above the ≥40% mark this site uses to surface candidates.
  • E. coli43.7% AI-predicted activityAt or above the ≥40% mark this site uses to surface candidates.
  • K. pneumoniae33.3% AI-predicted activityBelow the ≥40% mark this site uses to surface candidates.
  • M. tuberculosis62.7% AI-predicted activityAt or above the ≥40% mark this site uses to surface candidates.

A model’s estimate of laboratory activity against each pathogen species. It is not clinical effectiveness.

Evidence

Clinical and experimental

Documented evidence

Clinical

1registered study names this medicine, for any condition. See them below.

Experimental

No evidence found

No laboratory measurement against the four pathogens in the ChEMBL records loaded here.

Open Naldemedine Tosylate in ChEMBL Registered studies below

Docking

Computational · nothing measured

Dihydrofolate reductase ↗ (E. coli)

Not yet docked: queued in the docking rundetails

KPC-2 carbapenemase ↗ (K. pneumoniae)

Not yet docked: queued in the docking rundetails

Enoyl-ACP reductase (InhA) ↗ (M. tuberculosis)

Not yet docked: queued in the docking rundetails

Dihydrofolate reductase ↗ (MRSA)

Not yet docked: queued in the docking rundetails

AutoDock Vina, one experimentally solved protein per pathogen. This project’s screening target is -7.0 kcal/mol, its own mark rather than a universal cutoff. A docking score is a structural hypothesis, not proof of binding, and requires experimental validation.

Other medicines to investigate

AI prediction · nothing measured

Other repurposing candidates: approved medicines besides Naldemedine Tosylate with AI-predicted activity ≥40% against the chosen pathogen, leaving out existing antimicrobials. They are computational candidates for further investigation, not alternatives and not recommendations.

Sorted by AI-predicted activity, high to low. The order is not a ranking of which medicine is better.

Registered studies

A registration describes a study; it does not establish a positive result.

  • Effects of a Peripherally Acting µ-opioid Receptor Antagonist on Recurrent Acute Pancreatitis

    NCT04966559 · start 2022-01-12

    Registered record
    Registry ID
    NCT04966559
    Conditions
    Pancreatitis, Acute
    Interventions
    Placebo treatment; Naldemedine 0.2 MG Oral Tablet
    Study type
    INTERVENTIONAL
    Phase
    Phase 2 / Phase 3
    Registry status
    Unknown
    Start
    2022-01-12
    Completion
    2024-06-01
    Enrolment
    74

    As stored from ClinicalTrials.gov. Registration describes a study; it does not mean the study worked.

    ConditionPancreatitis, Acute
    InterventionPlacebo treatment; Naldemedine 0.2 MG Oral Tablet
    PhasePhase 2 / Phase 3
    Registry statusUnknown