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AMR Drug RepurposingSmart Screeningresearch prototype

Atovaquone

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

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

Chemical structure

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

Existing / approved use

Documented · FDA, WHO, ChEMBL

Approved for

  • Amebiasis
  • Malaria
  • Pneumocystosis

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

WHO therapeutic group
Other agents against amoebiasis and other protozoal diseases
FDA pharmacologic class
Antimalarial; Antiprotozoal FDA label ↗
Anti-infective classification
Classified as another kind of anti-infective (for example an antifungal, antiviral or antiparasitic medicine).WHO ATC P01AX06; FDA class Antimalarial; FDA class Antiprotozoal

Repurposing investigation

This medicine is being investigated here for AI-predicted antimicrobial activity against M. tuberculosis. It was surfaced computationally for further investigation; it is not an established treatment for this infection.

AI-predicted activity

AI prediction · nothing measured
  • MRSA30.1% AI-predicted activityBelow the ≥40% mark this site uses to surface candidates.
  • E. coli14.3% AI-predicted activityBelow the ≥40% mark this site uses to surface candidates.
  • K. pneumoniae12.1% AI-predicted activityBelow the ≥40% mark this site uses to surface candidates.
  • M. tuberculosis56.0% 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 Atovaquone in ChEMBL Registered studies below

Docking

Computational · nothing measured

Dihydrofolate reductase ↗ (E. coli)

-7.6 kcal/mol

0better fit →-12

KPC-2 carbapenemase ↗ (K. pneumoniae)

-8.6 kcal/mol

0better fit →-12

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

-8.9 kcal/mol

0better fit →-12

Dihydrofolate reductase ↗ (MRSA)

-8.2 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 Atovaquone 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.

  • Sevuparin/DF02 as an Adjunctive Therapy in Subjects Affected With Uncomplicated Falciparum Malaria

    NCT01442168 · start 2011-09

    Registered record
    Registry ID
    NCT01442168
    Conditions
    Malaria, Falciparum
    Interventions
    Sevuparin sodium + atovaquone/proquanil; atovaquone/proquanil
    Study type
    INTERVENTIONAL
    Phase
    Phase 1 / Phase 2
    Registry status
    Terminated
    Start
    2011-09
    Completion
    2014-01
    Enrolment
    53

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

    ConditionMalaria, Falciparum
    InterventionSevuparin sodium + atovaquone/proquanil; atovaquone/proquanil
    PhasePhase 1 / Phase 2
    Registry statusTerminated

  • Evaluation of the Riamet® Versus Malarone® in the Treatment of Uncomplicated Malaria

    NCT01150344 · start 2010-07

    Registered record
    Registry ID
    NCT01150344
    Conditions
    Malaria
    Interventions
    Malarone (atovaquone + proguanil combination); RIAMET (artemether + LUMEFANTRIN combination)
    Study type
    INTERVENTIONAL
    Phase
    Phase 4
    Registry status
    Completed
    Start
    2010-07
    Completion
    2015-11
    Enrolment
    317

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

    ConditionMalaria
    InterventionMalarone (atovaquone + proguanil combination); RIAMET (artemether + LUMEFANTRIN combination)
    PhasePhase 4
    Registry statusCompleted

  • A Pilot Study to Test Activity of Antimalarial Drugs Against an Induced Malaria Infection in Healthy Volunteers

    NCT01055002 · start 2010-01

    Registered record
    Registry ID
    NCT01055002
    Conditions
    Healthy; Non-smokers
    Interventions
    Blood stage parasite (BSP) inoculum
    Study type
    INTERVENTIONAL
    Phase
    Phase 1 / Phase 2
    Registry status
    Completed
    Start
    2010-01
    Completion
    2010-08
    Enrolment
    16

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

    ConditionHealthy; Non-smokers
    InterventionBlood stage parasite (BSP) inoculum
    PhasePhase 1 / Phase 2
    Registry statusCompleted

  • Weekly Dosing of Malarone ® for Prevention of Malaria

    NCT00984256 · start 2009-09

    Registered record
    Registry ID
    NCT00984256
    Conditions
    Malaria
    Interventions
    Atovaquone Proguanil; Procedure - malaria challenge
    Study type
    INTERVENTIONAL
    Phase
    Phase 2
    Registry status
    Completed
    Start
    2009-09
    Completion
    2010-04
    Enrolment
    35

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

    ConditionMalaria
    InterventionAtovaquone Proguanil; Procedure - malaria challenge
    PhasePhase 2
    Registry statusCompleted

  • Corticosteroids Therapy and Pneumocystis Jirovecii Pneumonia (PCP)

    NCT00636935 · start 2008-02

    Registered record
    Registry ID
    NCT00636935
    Conditions
    Pneumocystis Carinii Pneumonia
    Interventions
    Antibiotics only; Antibiotics + Corticosteroids; Corticosteroids + antibiotics
    Study type
    INTERVENTIONAL
    Phase
    Phase 4
    Registry status
    Withdrawn
    Start
    2008-02
    Completion
    2013-08
    Enrolment
    0

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

    ConditionPneumocystis Carinii Pneumonia
    InterventionAntibiotics only; Antibiotics + Corticosteroids; Corticosteroids + antibiotics
    PhasePhase 4
    Registry statusWithdrawn

  • Evaluation of Potential Effect of Artemether - Lumefantrine and Malaria Drugs on Auditory Function

    NCT00444106 · start 2007-05

    Registered record
    Registry ID
    NCT00444106
    Conditions
    Malaria; Falciparum
    Interventions
    Artesunate-mefloquine; Atovaquone-proguanil; Artemether-lumefantrine
    Study type
    INTERVENTIONAL
    Phase
    Phase 4
    Registry status
    Completed
    Start
    2007-05
    Completion
    2008-11
    Enrolment
    265

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

    ConditionMalaria; Falciparum
    InterventionArtesunate-mefloquine; Atovaquone-proguanil; Artemether-lumefantrine
    PhasePhase 4
    Registry statusCompleted

  • Drug Interaction Study Between Atovaquone and Antiretroviral Agents in HIV-1 Infected Patients

    NCT00421473 · start 2007-03

    Registered record
    Registry ID
    NCT00421473
    Conditions
    HIV Infections; Malaria
    Interventions
    Atovaquone / Proguanil
    Study type
    INTERVENTIONAL
    Phase
    Phase 4
    Registry status
    Completed
    Start
    2007-03
    Completion
    2008-12
    Enrolment
    79

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

    ConditionHIV Infections; Malaria
    InterventionAtovaquone / Proguanil
    PhasePhase 4
    Registry statusCompleted

  • Chloroquine Alone or in Combination for Malaria in Children in Malawi

    NCT00379821 · start 2007-02

    Registered record
    Registry ID
    NCT00379821
    Conditions
    Plasmodium Falciparum Infection
    Interventions
    Atovaquone-proguanil; Artesunate; Azithromycin; Chloroquine
    Study type
    INTERVENTIONAL
    Phase
    Phase 3
    Registry status
    Completed
    Start
    2007-02
    Completion
    2012-09
    Enrolment
    640

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

    ConditionPlasmodium Falciparum Infection
    InterventionAtovaquone-proguanil; Artesunate; Azithromycin; Chloroquine
    PhasePhase 3
    Registry statusCompleted

  • Safety and Efficacy Study of IV Artesunate to Treat Malaria

    NCT00298610 · start 2006-03

    Registered record
    Registry ID
    NCT00298610
    Conditions
    Malaria
    Interventions
    Artesunate; Malarone
    Study type
    INTERVENTIONAL
    Phase
    Phase 2
    Registry status
    Completed
    Start
    2006-03
    Completion
    2007-10
    Enrolment
    30

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

    ConditionMalaria
    InterventionArtesunate; Malarone
    PhasePhase 2
    Registry statusCompleted

  • Safety of Artemether - Lumefantrine, and Other Malaria Drugs and Their Effect on the Auditory Function

    NCT00386750 · start 2005-06

    Registered record
    Registry ID
    NCT00386750
    Conditions
    Malaria; Falciparum
    Interventions
    Artemether-lumefantrine
    Study type
    INTERVENTIONAL
    Phase
    Phase 4
    Registry status
    Terminated
    Start
    2005-06
    Completion
    2005-11
    Enrolment
    265

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

    ConditionMalaria; Falciparum
    InterventionArtemether-lumefantrine
    PhasePhase 4
    Registry statusTerminated

  • Safety and Efficacy Study of Adjunctive Rosiglitazone in the Treatment of Uncomplicated Falciparum Malaria

    NCT00149383 · start 2004-12

    Registered record
    Registry ID
    NCT00149383
    Conditions
    Falciparum Malaria
    Interventions
    Rosiglitazone; Placebo
    Study type
    INTERVENTIONAL
    Phase
    Phase 1 / Phase 2
    Registry status
    Completed
    Start
    2004-12
    Completion
    2006-01
    Enrolment
    140

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

    ConditionFalciparum Malaria
    InterventionRosiglitazone; Placebo
    PhasePhase 1 / Phase 2
    Registry statusCompleted

  • Azithromycin Plus Chloroquine Versus Atovaquone-Proguanil For The Treatment Of Uncomplicated Plasmodium Falciparum Malaria In South America

    NCT00084227 · start 2004-07

    Registered record
    Registry ID
    NCT00084227
    Conditions
    Malaria, Falciparum
    Interventions
    Azithromycin/Chloroquine; Atovaquone/Proguanil
    Study type
    INTERVENTIONAL
    Phase
    Phase 2 / Phase 3
    Registry status
    Completed
    Start
    2004-07
    Completion
    2005-07
    Enrolment
    244

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

    ConditionMalaria, Falciparum
    InterventionAzithromycin/Chloroquine; Atovaquone/Proguanil
    PhasePhase 2 / Phase 3
    Registry statusCompleted

  • A Randomized, Double-Blind Study of 566C80 Versus Septra (Sulfamethoxazole/Trimethoprim) for the Treatment of Pneumocystis Carinii Pneumonia in AIDS Patients

    NCT00000655

    Registered record
    Registry ID
    NCT00000655
    Conditions
    Pneumonia, Pneumocystis Carinii; HIV Infections
    Interventions
    Atovaquone; Sulfamethoxazole-Trimethoprim
    Study type
    INTERVENTIONAL
    Phase
    Phase 2
    Registry status
    Completed
    Start
    Not recorded
    Completion
    Not recorded
    Enrolment
    300

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

    ConditionPneumonia, Pneumocystis Carinii; HIV Infections
    InterventionAtovaquone; Sulfamethoxazole-Trimethoprim
    PhasePhase 2
    Registry statusCompleted

  • Phase I Safety and Pharmacokinetics Study of Microparticulate Atovaquone (m-Atovaquone; 566C80) in HIV-Infected and Perinatally Exposed Infants and Children

    NCT00000773

    Registered record
    Registry ID
    NCT00000773
    Conditions
    Pneumonia, Pneumocystis Carinii; HIV Infections
    Interventions
    Atovaquone
    Study type
    INTERVENTIONAL
    Phase
    Phase 1
    Registry status
    Completed
    Start
    Not recorded
    Completion
    1996-09
    Enrolment
    24

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

    ConditionPneumonia, Pneumocystis Carinii; HIV Infections
    InterventionAtovaquone
    PhasePhase 1
    Registry statusCompleted

  • A Randomized, Comparative Study of Daily Dapsone and Daily Atovaquone for Prophylaxis Against PCP in HIV-Infected Patients Who Are Intolerant of Trimethoprim and/or Sulfonamides

    NCT00000802

    Registered record
    Registry ID
    NCT00000802
    Conditions
    Pneumonia, Pneumocystis Carinii; HIV Infections
    Interventions
    Atovaquone; Dapsone
    Study type
    INTERVENTIONAL
    Phase
    Phase 3
    Registry status
    Completed
    Start
    Not recorded
    Completion
    1997-07
    Enrolment
    700

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

    ConditionPneumonia, Pneumocystis Carinii; HIV Infections
    InterventionAtovaquone; Dapsone
    PhasePhase 3
    Registry statusCompleted