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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 M. tuberculosis, MRSA and E. coli. 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.

  • Ondansetron Versus Palonosetron Antiemetic Regimen Prior to Highly Emetogenic Chemotherapy(HEC)

    NCT01640340 · start 2011-01

    Registered record
    Registry ID
    NCT01640340
    Conditions
    Malignant Neoplasm
    Interventions
    aprepitant; palonosetron hydrochloride; ondansetron; dexamethasone
    Study type
    INTERVENTIONAL
    Phase
    Not applicable
    Registry status
    Completed
    Start
    2011-01
    Completion
    2011-08
    Enrolment
    40

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

    ConditionMalignant Neoplasm
    Interventionaprepitant; palonosetron hydrochloride; ondansetron; dexamethasone
    PhaseNot applicable
    Registry statusCompleted

  • Effects of Treatment With Aprepitant (Emend®) in HIV Infected Individuals. 375 mg Dose

    NCT01300988 · start 2010-12

    Registered record
    Registry ID
    NCT01300988
    Conditions
    HIV Infection
    Interventions
    Aprepitant; Aprepitant placebo
    Study type
    INTERVENTIONAL
    Phase
    Phase 1
    Registry status
    Completed
    Start
    2010-12
    Completion
    2013-08
    Enrolment
    18

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

    ConditionHIV Infection
    InterventionAprepitant; Aprepitant placebo
    PhasePhase 1
    Registry statusCompleted

  • Comparison of Olanzapine and Metoclopramide For Treatment Of bReakThrough Emesis

    NCT01148264 · start 2010-07

    Registered record
    Registry ID
    NCT01148264
    Conditions
    Emesis
    Interventions
    olanzapine; metoclopramide
    Study type
    INTERVENTIONAL
    Phase
    Phase 2
    Registry status
    Terminated
    Start
    2010-07
    Completion
    2014-10
    Enrolment
    23

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

    ConditionEmesis
    Interventionolanzapine; metoclopramide
    PhasePhase 2
    Registry statusTerminated

  • A Pilot Study of Induction Chemotherapy Followed by Surgery for Locally Advanced Resectable Head and Neck Cancer

    NCT01111942 · start 2010-02

    Registered record
    Registry ID
    NCT01111942
    Conditions
    Head and Neck Cancer
    Interventions
    radiation combined with weekly carboplatin; conservation surgery
    Study type
    INTERVENTIONAL
    Phase
    Early phase 1
    Registry status
    Terminated
    Start
    2010-02
    Completion
    2014-01
    Enrolment
    4

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

    ConditionHead and Neck Cancer
    Interventionradiation combined with weekly carboplatin; conservation surgery
    PhaseEarly phase 1
    Registry statusTerminated

  • A Study of Aprepitant (MK-0869) in Pediatric Participants Undergoing Surgery (MK-0869-148)

    NCT00819039 · start 2009-01-26

    Registered record
    Registry ID
    NCT00819039
    Conditions
    Postoperative Nausea and Vomiting
    Interventions
    Aprepitant; Ondansetron
    Study type
    INTERVENTIONAL
    Phase
    Phase 1
    Registry status
    Completed
    Start
    2009-01-26
    Completion
    2013-03-12
    Enrolment
    98

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

    ConditionPostoperative Nausea and Vomiting
    InterventionAprepitant; Ondansetron
    PhasePhase 1
    Registry statusCompleted

  • Combination Antiemetic Regimen for Prevention of PONV in Breast Surgery Patients

    NCT00738621 · start 2008-07

    Registered record
    Registry ID
    NCT00738621
    Conditions
    Postoperative Nausea and Vomiting
    Interventions
    Aprepitant, Dexamethasone, Ondansetron; Aprepitant, Dexamethasone, Placebo
    Study type
    INTERVENTIONAL
    Phase
    Phase 4
    Registry status
    Completed
    Start
    2008-07
    Completion
    2010-08
    Enrolment
    100

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

    ConditionPostoperative Nausea and Vomiting
    InterventionAprepitant, Dexamethasone, Ondansetron; Aprepitant, Dexamethasone, Placebo
    PhasePhase 4
    Registry statusCompleted

  • A Trial of Aprepitant For Prevention of Post-Endoscopic Retrograde Cholangiopancreatography (ERCP) Pancreatitis

    NCT00736073 · start 2007-08

    Registered record
    Registry ID
    NCT00736073
    Conditions
    Pancreatitis
    Interventions
    aprepitant; Placebo
    Study type
    INTERVENTIONAL
    Phase
    Not applicable
    Registry status
    Completed
    Start
    2007-08
    Completion
    2012-11
    Enrolment
    73

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

    ConditionPancreatitis
    Interventionaprepitant; Placebo
    PhaseNot applicable
    Registry statusCompleted

  • Aprepitant Versus Ondansetron in Preoperative Triple-therapy Treatment of Nausea and Vomiting

    NCT01474915 · start 2007-06

    Registered record
    Registry ID
    NCT01474915
    Conditions
    Postoperative Nausea and Vomiting (PONV); Nausea
    Interventions
    Aprepitant; Ondansetron; Promethazine; Dexamethasone
    Study type
    INTERVENTIONAL
    Phase
    Phase 4
    Registry status
    Completed
    Start
    2007-06
    Completion
    2013-04
    Enrolment
    122

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

    ConditionPostoperative Nausea and Vomiting (PONV); Nausea
    InterventionAprepitant; Ondansetron; Promethazine; Dexamethasone
    PhasePhase 4
    Registry statusCompleted

  • Effects of Treatment With Aprepitant (Emend®) in HIV Infected Individuals

    NCT00428519 · start 2007-01

    Registered record
    Registry ID
    NCT00428519
    Conditions
    HIV Infections
    Interventions
    Placebo; Aprepitant; Aprepitant
    Study type
    INTERVENTIONAL
    Phase
    Phase 1
    Registry status
    Completed
    Start
    2007-01
    Completion
    2009-12
    Enrolment
    30

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

    ConditionHIV Infections
    InterventionPlacebo; Aprepitant; Aprepitant
    PhasePhase 1
    Registry statusCompleted

  • Prevention of Delayed Nausea A Phase III Double-Blind Placebo-Controlled Clinical Trial

    NCT00475085 · start 2006-12

    Registered record
    Registry ID
    NCT00475085
    Conditions
    Nausea
    Interventions
    aprepitant; dexamethasone; granisetron hydrochloride; palonosetron hydrochloride; prochlorperazine; placebo
    Study type
    INTERVENTIONAL
    Phase
    Phase 3
    Registry status
    Completed
    Start
    2006-12
    Completion
    Not recorded
    Enrolment
    1,021

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

    ConditionNausea
    Interventionaprepitant; dexamethasone; granisetron hydrochloride; palonosetron hydrochloride +2 more
    PhasePhase 3
    Registry statusCompleted

  • Phase II Trial of Aprepitant & Palonosetron for CINV Prevention w FOLFOX

    NCT00381862 · start 2006-06

    Registered record
    Registry ID
    NCT00381862
    Conditions
    Colorectal Cancer; Nausea and Vomiting
    Interventions
    aprepitant; dexamethasone; fluorouracil; irinotecan hydrochloride; leucovorin calcium; oxaliplatin; palonosetron hydrochloride; quality-of-life assessment
    Study type
    INTERVENTIONAL
    Phase
    Phase 2
    Registry status
    Completed
    Start
    2006-06
    Completion
    2008-07
    Enrolment
    54

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

    ConditionColorectal Cancer; Nausea and Vomiting
    Interventionaprepitant; dexamethasone; fluorouracil; irinotecan hydrochloride +4 more
    PhasePhase 2
    Registry statusCompleted

  • Effect of Aprepitant on Cyclophosphamide Pharmacokinetics in Patients With Breast Cancer

    NCT00719173 · start 2005-08

    Registered record
    Registry ID
    NCT00719173
    Conditions
    Breast Cancer; Nausea and Vomiting
    Interventions
    aprepitant; cyclophosphamide; placebo
    Study type
    INTERVENTIONAL
    Phase
    Phase 1
    Registry status
    Completed
    Start
    2005-08
    Completion
    2010-10
    Enrolment
    19

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

    ConditionBreast Cancer; Nausea and Vomiting
    Interventionaprepitant; cyclophosphamide; placebo
    PhasePhase 1
    Registry statusCompleted

  • Efficacy and Safety of Aprepitant in Subjects With Multiple Myeloma During and After High-dose Chemotherapy

    NCT00571168 · start 2005-07

    Registered record
    Registry ID
    NCT00571168
    Conditions
    Multiple Myeloma
    Interventions
    Emend; Placebo
    Study type
    INTERVENTIONAL
    Phase
    Phase 3
    Registry status
    Unknown
    Start
    2005-07
    Completion
    2010-12
    Enrolment
    362

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

    ConditionMultiple Myeloma
    InterventionEmend; Placebo
    PhasePhase 3
    Registry statusUnknown

  • 2 Doses of an Approved Drug Being Studied for a New Indication for the Prevention of Postoperative Nausea and Vomiting (0869-091)

    NCT00090246 · start 2004-05-13

    Registered record
    Registry ID
    NCT00090246
    Conditions
    Postoperative Nausea and Vomiting
    Interventions
    MK0869, aprepitant; Comparator: ondansetron IV
    Study type
    INTERVENTIONAL
    Phase
    Phase 3
    Registry status
    Completed
    Start
    2004-05-13
    Completion
    2005-04-20
    Enrolment
    922

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

    ConditionPostoperative Nausea and Vomiting
    InterventionMK0869, aprepitant; Comparator: ondansetron IV
    PhasePhase 3
    Registry statusCompleted

  • Aprepitant in Preventing Nausea and Vomiting in Patients Who Are Undergoing a Stem Cell Transplant

    NCT00248547 · start 2004-05

    Registered record
    Registry ID
    NCT00248547
    Conditions
    Cancer
    Interventions
    aprepitant; dexamethasone; ondansetron; placebo
    Study type
    INTERVENTIONAL
    Phase
    Not applicable
    Registry status
    Completed
    Start
    2004-05
    Completion
    2009-01
    Enrolment
    40

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

    ConditionCancer
    Interventionaprepitant; dexamethasone; ondansetron; placebo
    PhaseNot applicable
    Registry statusCompleted