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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.

  • Atovaquone (Mepron®) Combined With Conventional Chemotherapy for de Novo Acute Myeloid Leukemia (AML)

    NCT03568994 · start 2018-07-10

    Registered record
    Registry ID
    NCT03568994
    Conditions
    Acute Myeloid Leukemia
    Interventions
    Atovaquone; Cytarabine; Daunorubicin; Etoposide; Gemtuzumab Ozogamicin
    Study type
    INTERVENTIONAL
    Phase
    Early phase 1
    Registry status
    Completed
    Start
    2018-07-10
    Completion
    2025-09-20
    Enrolment
    26

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

    ConditionAcute Myeloid Leukemia
    InterventionAtovaquone; Cytarabine; Daunorubicin; Etoposide +1 more
    PhaseEarly phase 1
    Registry statusCompleted

  • Controlled Human Malaria Infection Model for Evaluation of Transmission-blocking Interventions - Study 2

    NCT03454048 · start 2018-05-07

    Registered record
    Registry ID
    NCT03454048
    Conditions
    Malaria,Falciparum; Gametocytes; Controlled Human Malaria Infection; Transmission
    Interventions
    Piperaquine (low dose); Piperaquine (high dose); Sulfadoxine pyrimethamine; Atovaquone Proguanil; malaria challenge infection, P. falciparum 3D7; Blood stage malaria challenge infection, P. falciparum 3D7
    Study type
    INTERVENTIONAL
    Phase
    Not applicable
    Registry status
    Completed
    Start
    2018-05-07
    Completion
    2018-11-20
    Enrolment
    24

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

    ConditionMalaria,Falciparum; Gametocytes; Controlled Human Malaria Infection; Transmission
    InterventionPiperaquine (low dose); Piperaquine (high dose); Sulfadoxine pyrimethamine; Atovaquone Proguanil +2 more
    PhaseNot applicable
    Registry statusCompleted

  • Dose Escalation PfSPZ-CVac

    NCT03083847 · start 2017-06-05

    Registered record
    Registry ID
    NCT03083847
    Conditions
    Malaria
    Interventions
    Chloroquine Phosphate; Pyrimethamine; Sanaria PfSPZ Challenge
    Study type
    INTERVENTIONAL
    Phase
    Phase 1
    Registry status
    Completed
    Start
    2017-06-05
    Completion
    2019-06-26
    Enrolment
    55

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

    ConditionMalaria
    InterventionChloroquine Phosphate; Pyrimethamine; Sanaria PfSPZ Challenge
    PhasePhase 1
    Registry statusCompleted

  • Safety and Protective Efficacy of Genetically Attenuated PfSPZ-GA1 Vaccine in Healthy Dutch Volunteers

    NCT03163121 · start 2017-05-12

    Registered record
    Registry ID
    NCT03163121
    Conditions
    Malaria
    Interventions
    PfSPZ-GA1 Vaccine; PfSPZ Vaccine; Normal Saline; Mosquito-bite CHMI
    Study type
    INTERVENTIONAL
    Phase
    Phase 1
    Registry status
    Completed
    Start
    2017-05-12
    Completion
    2018-10-25
    Enrolment
    67

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

    ConditionMalaria
    InterventionPfSPZ-GA1 Vaccine; PfSPZ Vaccine; Normal Saline; Mosquito-bite CHMI
    PhasePhase 1
    Registry statusCompleted

  • Safety and Protective Efficacy of IV Immunization With Cryopreserved PfSPZ Under A/P Chemoprophylaxis

    NCT02858817 · start 2016-11-28

    Registered record
    Registry ID
    NCT02858817
    Conditions
    Malaria
    Interventions
    atovaquone/proguanil 250mg/100mg (A/P); PfSPZ Challenge (NF54); NaCl 0,9%
    Study type
    INTERVENTIONAL
    Phase
    Phase 1
    Registry status
    Completed
    Start
    2016-11-28
    Completion
    2017-11-16
    Enrolment
    30

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

    ConditionMalaria
    Interventionatovaquone/proguanil 250mg/100mg (A/P); PfSPZ Challenge (NF54); NaCl 0,9%
    PhasePhase 1
    Registry statusCompleted

  • Effect of Antimalarial Drugs to Rabies Vaccine for Post-exposure Prophylaxis.

    NCT02564471 · start 2016-11-11

    Registered record
    Registry ID
    NCT02564471
    Conditions
    Rabies
    Interventions
    Chloroquine; Atovaquone and Proguanil; Doxycycline; Rabies Vaccine
    Study type
    INTERVENTIONAL
    Phase
    Phase 4
    Registry status
    Completed
    Start
    2016-11-11
    Completion
    2019-02
    Enrolment
    103

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

    ConditionRabies
    InterventionChloroquine; Atovaquone and Proguanil; Doxycycline; Rabies Vaccine
    PhasePhase 4
    Registry statusCompleted

  • Controlled Human Malaria Infection Model for Evaluation of Transmission-Blocking Interventions - Study 1

    NCT02836002 · start 2016-06

    Registered record
    Registry ID
    NCT02836002
    Conditions
    Malaria
    Interventions
    Sulfadoxine-pyrimethamine (low dose); Piperaquine (low dose); Sulfadoxine-pyrimethamine (high dose); Piperaquine (high dose); malaria challenge infection, P. falciparum 3D7; Atovaquone-proguanil
    Study type
    INTERVENTIONAL
    Phase
    Phase 1 / Phase 2
    Registry status
    Completed
    Start
    2016-06
    Completion
    2017-06-29
    Enrolment
    29

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

    ConditionMalaria
    InterventionSulfadoxine-pyrimethamine (low dose); Piperaquine (low dose); Sulfadoxine-pyrimethamine (high dose); Piperaquine (high dose) +2 more
    PhasePhase 1 / Phase 2
    Registry statusCompleted

  • Atovaquone as Tumour HypOxia Modifier

    NCT02628080 · start 2016-05

    Registered record
    Registry ID
    NCT02628080
    Conditions
    Carcinoma, Non-Small-Cell Lung
    Interventions
    Atovaquone
    Study type
    INTERVENTIONAL
    Phase
    Early phase 1
    Registry status
    Completed
    Start
    2016-05
    Completion
    2018-12
    Enrolment
    46

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

    ConditionCarcinoma, Non-Small-Cell Lung
    InterventionAtovaquone
    PhaseEarly phase 1
    Registry statusCompleted

  • DSM265 Chemoprophylaxis of Plasmodium Falciparum Malaria

    NCT02450578 · start 2015-10

    Registered record
    Registry ID
    NCT02450578
    Conditions
    Plasmodium Falciparum, Malaria
    Interventions
    DSM265 400mg; Placebo to DSM265 400 mg; Plasmodium falciparum sporozoite challenge; Malarone
    Study type
    INTERVENTIONAL
    Phase
    Phase 1
    Registry status
    Completed
    Start
    2015-10
    Completion
    2016-04
    Enrolment
    22

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

    ConditionPlasmodium Falciparum, Malaria
    InterventionDSM265 400mg; Placebo to DSM265 400 mg; Plasmodium falciparum sporozoite challenge; Malarone
    PhasePhase 1
    Registry statusCompleted

  • The ASAP Study - Therapeutic Efficacy of Atovaquone-proguanil vs. Artesunate-atovaquone-proguanil in Cambodia

    NCT02297477 · start 2014-12

    Registered record
    Registry ID
    NCT02297477
    Conditions
    Malaria
    Interventions
    atovaquone-proguanil; artesunate-atovaquone-proguanil
    Study type
    INTERVENTIONAL
    Phase
    Phase 4
    Registry status
    Unknown
    Start
    2014-12
    Completion
    2021-12
    Enrolment
    205

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

    ConditionMalaria
    Interventionatovaquone-proguanil; artesunate-atovaquone-proguanil
    PhasePhase 4
    Registry statusUnknown

  • Target Antigens Induced by Plasmodium Falciparum Sporozoite Immunization Under Chemoprophylaxis

    NCT02080026 · start 2014-06

    Registered record
    Registry ID
    NCT02080026
    Conditions
    Malaria
    Interventions
    CPS-immunization; Controlled Human Malaria Infection; chloroquine; atovaquone/proguanil
    Study type
    INTERVENTIONAL
    Phase
    Not applicable
    Registry status
    Completed
    Start
    2014-06
    Completion
    2015-07
    Enrolment
    15

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

    ConditionMalaria
    InterventionCPS-immunization; Controlled Human Malaria Infection; chloroquine; atovaquone/proguanil
    PhaseNot applicable
    Registry statusCompleted

  • Evaluating the Ottawa Malaria Decision Aid

    NCT01976325 · start 2014-01

    Registered record
    Registry ID
    NCT01976325
    Conditions
    Malaria
    Interventions
    Ottawa Malaria Decision Aid
    Study type
    INTERVENTIONAL
    Phase
    Not applicable
    Registry status
    Unknown
    Start
    2014-01
    Completion
    2015-11
    Enrolment
    100

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

    ConditionMalaria
    InterventionOttawa Malaria Decision Aid
    PhaseNot applicable
    Registry statusUnknown

  • Re-exposure of Human Volunteers to a Heterologous Strain of P. Falciparum Sporozoites

    NCT01660854 · start 2012-07

    Registered record
    Registry ID
    NCT01660854
    Conditions
    Malaria, Falciparum
    Interventions
    Heterologous challenge; Malarone treatment
    Study type
    INTERVENTIONAL
    Phase
    Not applicable
    Registry status
    Completed
    Start
    2012-07
    Completion
    2013-01
    Enrolment
    21

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

    ConditionMalaria, Falciparum
    InterventionHeterologous challenge; Malarone treatment
    PhaseNot applicable
    Registry statusCompleted

  • Single Oral Dose Study of Atovaquone/Proguanil Hydrochloride Combination Tablets and Atovaquone Suspension

    NCT01858831 · start 2012-04

    Registered record
    Registry ID
    NCT01858831
    Conditions
    Malaria
    Interventions
    Atovaquone/proguanil HCL; Atovaquone
    Study type
    INTERVENTIONAL
    Phase
    Phase 1
    Registry status
    Completed
    Start
    2012-04
    Completion
    2012-05
    Enrolment
    30

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

    ConditionMalaria
    InterventionAtovaquone/proguanil HCL; Atovaquone
    PhasePhase 1
    Registry statusCompleted

  • Antiretroviral Drug Interaction Study in Volunteers With HIV

    NCT01479361 · start 2011-10-31

    Registered record
    Registry ID
    NCT01479361
    Conditions
    HIV; PCP; Toxoplasmosis
    Interventions
    Atovaquone 750 mg twice daily; Atovaquone 1500 mg twice daily
    Study type
    INTERVENTIONAL
    Phase
    Phase 1
    Registry status
    Completed
    Start
    2011-10-31
    Completion
    2014-02-20
    Enrolment
    36

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

    ConditionHIV; PCP; Toxoplasmosis
    InterventionAtovaquone 750 mg twice daily; Atovaquone 1500 mg twice daily
    PhasePhase 1
    Registry statusCompleted