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AMR Drug RepurposingSmart Screeningresearch prototype

Aprepitant

FDA-approved product (capsule, oral), marketed as Aponvie, Aprepitant, Cinvanti and 1 more.

Registered studies
50+
Lab records
0
Pathogens at ≥40%
3 of 4

Chemical structure

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

Existing / approved use

Documented · FDA, WHO, ChEMBL

Approved for

  • Cancer
  • Chemotherapy-induced nausea and vomiting
  • Nausea
  • Nausea and vomiting
  • Post operative nausea and vomiting
  • Vomiting

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

WHO therapeutic group
Other antiemetics
FDA pharmacologic class
Substance P/Neurokinin-1 Receptor Antagonist 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
  • MRSA56.3% AI-predicted activityAt or above the ≥40% mark this site uses to surface candidates.
  • E. coli42.7% AI-predicted activityAt or above the ≥40% mark this site uses to surface candidates.
  • K. pneumoniae39.7% AI-predicted activityBelow the ≥40% mark this site uses to surface candidates.
  • M. tuberculosis57.0% 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

50+registered studies name this medicine, for any condition. The registry search keeps the first 50, so there may be more. See them below.

Experimental

No evidence found

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

Open Aprepitant in ChEMBL Registered studies below

Docking

Computational · nothing measured

Dihydrofolate reductase ↗ (E. coli)

-9.3 kcal/mol

0better fit →-12

KPC-2 carbapenemase ↗ (K. pneumoniae)

-8.3 kcal/mol

0better fit →-12

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

-9.8 kcal/mol

0better fit →-12

Dihydrofolate reductase ↗ (MRSA)

-9.7 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 Aprepitant 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.

  • Study of MK0869 for the Prevention of Chemotherapy-Induced Nausea and Vomiting (0869-071)(COMPLETED)

    NCT00092196 · start 2002-12-01

    Registered record
    Registry ID
    NCT00092196
    Conditions
    Nausea; Vomiting; Breast Neoplasms
    Interventions
    MK0869, aprepitant / Duration of Treatment: 3 days
    Study type
    INTERVENTIONAL
    Phase
    Phase 3
    Registry status
    Completed
    Start
    2002-12-01
    Completion
    2004-12-01
    Enrolment
    820

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

    ConditionNausea; Vomiting; Breast Neoplasms
    InterventionMK0869, aprepitant / Duration of Treatment: 3 days
    PhasePhase 3
    Registry statusCompleted

  • Treatment of Patients With Major Depressive Disorder With MK0869 (0869-073)

    NCT00042029 · start 2002-06-18

    Registered record
    Registry ID
    NCT00042029
    Conditions
    Major Depressive Disorder
    Interventions
    MK0869, aprepitant; Comparator: placebo
    Study type
    INTERVENTIONAL
    Phase
    Phase 3
    Registry status
    Completed
    Start
    2002-06-18
    Completion
    2003-10-03
    Enrolment
    324

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

    ConditionMajor Depressive Disorder
    InterventionMK0869, aprepitant; Comparator: placebo
    PhasePhase 3
    Registry statusCompleted

  • Treatment of Patients With Major Depressive Disorder With MK0869 (0869-068)(COMPLETED)

    NCT00035048 · start 2001-11-21

    Registered record
    Registry ID
    NCT00035048
    Conditions
    Major Depressive Disorder
    Interventions
    aprepitant; Comparator: placebo (unspecified)
    Study type
    INTERVENTIONAL
    Phase
    Phase 3
    Registry status
    Completed
    Start
    2001-11-21
    Completion
    2003-12-31
    Enrolment
    540

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

    ConditionMajor Depressive Disorder
    Interventionaprepitant; Comparator: placebo (unspecified)
    PhasePhase 3
    Registry statusCompleted

  • Treatment of Patients With Major Depressive Disorder With MK0869 (0869-066)(COMPLETED)

    NCT00034983 · start 2001-10-29

    Registered record
    Registry ID
    NCT00034983
    Conditions
    Major Depressive Disorder
    Interventions
    aprepitant; Comparator: paroxetine HCL
    Study type
    INTERVENTIONAL
    Phase
    Phase 3
    Registry status
    Completed
    Start
    2001-10-29
    Completion
    2003-12-29
    Enrolment
    900

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

    ConditionMajor Depressive Disorder
    Interventionaprepitant; Comparator: paroxetine HCL
    PhasePhase 3
    Registry statusCompleted

  • Treatment of Patients With Major Depressive Disorder With MK0869 (0869-059)

    NCT00035009 · start 2001-09-20

    Registered record
    Registry ID
    NCT00035009
    Conditions
    Major Depressive Disorder
    Interventions
    MK0869, aprepitant; Comparator: paroxetine HCL
    Study type
    INTERVENTIONAL
    Phase
    Phase 3
    Registry status
    Completed
    Start
    2001-09-20
    Completion
    2004-03-24
    Enrolment
    468

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

    ConditionMajor Depressive Disorder
    InterventionMK0869, aprepitant; Comparator: paroxetine HCL
    PhasePhase 3
    Registry statusCompleted