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AMR Drug RepurposingSmart Screeningresearch prototype

Vibegron

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

Registered studies
16
Lab records
0
Pathogens at ≥40%
3 of 4

Chemical structure

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

Existing / approved use

Documented · FDA, WHO, ChEMBL

Approved for

  • Overactive bladder
  • Polyuria
  • Urgency urinary incontinence
  • Urinary incontinence

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

WHO therapeutic group
Drugs for urinary frequency and incontinence
FDA pharmacologic class
beta3-Adrenergic Agonist FDA label ↗
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
  • MRSA50.9% AI-predicted activityAt or above the ≥40% mark this site uses to surface candidates.
  • E. coli50.4% AI-predicted activityAt or above the ≥40% mark this site uses to surface candidates.
  • K. pneumoniae27.4% AI-predicted activityBelow the ≥40% mark this site uses to surface candidates.
  • M. tuberculosis51.6% 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

16registered studies name 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 Vibegron in ChEMBL Registered studies below

Docking

Computational · nothing measured

Dihydrofolate reductase ↗ (E. coli)

-8.2 kcal/mol

0better fit →-12

KPC-2 carbapenemase ↗ (K. pneumoniae)

-8.1 kcal/mol

0better fit →-12

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

-10.2 kcal/mol

0better fit →-12

Dihydrofolate reductase ↗ (MRSA)

-8.5 kcal/mol

0better fit →-12

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 Vibegron 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.

  • A Study of the Efficacy and Safety of Vibegron (MK-4618) in Participants With Overactive Bladder (OAB) (MK-4618-008)

    NCT01314872 · start 2011-03-31

    Registered record
    Registry ID
    NCT01314872
    Conditions
    Urinary Bladder, Overactive
    Interventions
    Vibegron; Tolterodine ER; Placebo matching vibegron; Placebo matching tolterodine ER
    Study type
    INTERVENTIONAL
    Phase
    Phase 2
    Registry status
    Completed
    Start
    2011-03-31
    Completion
    2013-10-10
    Enrolment
    1,395

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

    ConditionUrinary Bladder, Overactive
    InterventionVibegron; Tolterodine ER; Placebo matching vibegron; Placebo matching tolterodine ER
    PhasePhase 2
    Registry statusCompleted