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AMR Drug RepurposingSmart Screeningresearch prototype

Atogepant

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

Registered studies
36
Lab records
0
Pathogens at ≥40%
3 of 4

Chemical structure

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

Existing / approved use

Documented · FDA, WHO, ChEMBL

Approved for

  • Migraine disorder

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

WHO therapeutic group
Calcitonin gene-related peptide (cgrp) antagonists
FDA pharmacologic class
Calcitonin Gene-related Peptide 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 E. coli, MRSA 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
  • MRSA56.4% AI-predicted activityAt or above the ≥40% mark this site uses to surface candidates.
  • E. coli56.0% AI-predicted activityAt or above the ≥40% mark this site uses to surface candidates.
  • K. pneumoniae39.4% AI-predicted activityBelow the ≥40% mark this site uses to surface candidates.
  • M. tuberculosis56.6% 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

36registered 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 Atogepant in ChEMBL Registered studies below

Docking

Computational · nothing measured

Dihydrofolate reductase ↗ (E. coli)

-9.8 kcal/mol

0better fit →-12

KPC-2 carbapenemase ↗ (K. pneumoniae)

-2.7 kcal/mol

0better fit →-12

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

-10.4 kcal/mol

0better fit →-12

Dihydrofolate reductase ↗ (MRSA)

-7.8 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 Atogepant 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 Evaluating Oral Atogepant for the Prevention of Migraine in Japanese Participants With Chronic or Episodic Migraine

    NCT04437433 · start 2020-06-18

    Registered record
    Registry ID
    NCT04437433
    Conditions
    Chronic Migraine; Episodic Migraine
    Interventions
    Atogepant 60 mg
    Study type
    INTERVENTIONAL
    Phase
    Phase 3
    Registry status
    Completed
    Start
    2020-06-18
    Completion
    2024-06-11
    Enrolment
    186

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

    ConditionChronic Migraine; Episodic Migraine
    InterventionAtogepant 60 mg
    PhasePhase 3
    Registry statusCompleted

  • Extension Study to Evaluate the Long-Term Safety and Tolerability of Oral Atogepant for the Prevention of Migraine in Participants With Episodic Migraine

    NCT03939312 · start 2019-05-06

    Registered record
    Registry ID
    NCT03939312
    Conditions
    Episodic Migraine
    Interventions
    Atogepant
    Study type
    INTERVENTIONAL
    Phase
    Phase 3
    Registry status
    Completed
    Start
    2019-05-06
    Completion
    2021-03-31
    Enrolment
    685

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

    ConditionEpisodic Migraine
    InterventionAtogepant
    PhasePhase 3
    Registry statusCompleted

  • Efficacy, Safety, and Tolerability of Atogepant for the Prevention of Chronic Migraine

    NCT03855137 · start 2019-03-11

    Registered record
    Registry ID
    NCT03855137
    Conditions
    Chronic Migraine
    Interventions
    Atogepant 30 mg; Atogepant 60 mg; Placebo
    Study type
    INTERVENTIONAL
    Phase
    Phase 3
    Registry status
    Completed
    Start
    2019-03-11
    Completion
    2022-01-20
    Enrolment
    778

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

    ConditionChronic Migraine
    InterventionAtogepant 30 mg; Atogepant 60 mg; Placebo
    PhasePhase 3
    Registry statusCompleted

  • 12-Week Placebo-controlled Study of Atogepant for the Preventive Treatment of Migraine in Participants With Episodic Migraine

    NCT03777059 · start 2018-12-14

    Registered record
    Registry ID
    NCT03777059
    Conditions
    Episodic Migraine
    Interventions
    Atogepant; Placebo
    Study type
    INTERVENTIONAL
    Phase
    Phase 3
    Registry status
    Completed
    Start
    2018-12-14
    Completion
    2020-06-19
    Enrolment
    910

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

    ConditionEpisodic Migraine
    InterventionAtogepant; Placebo
    PhasePhase 3
    Registry statusCompleted

  • Study to Evaluate the Safety and Tolerability of Treatment With Atogepant 60 mg Daily for the Prevention of Migraine in Participants With Episodic Migraine

    NCT03700320 · start 2018-10-08

    Registered record
    Registry ID
    NCT03700320
    Conditions
    Episodic Migraine
    Interventions
    Standard of Care (SOC) Migraine Preventive Medication; Atogepant
    Study type
    INTERVENTIONAL
    Phase
    Phase 3
    Registry status
    Completed
    Start
    2018-10-08
    Completion
    2020-05-21
    Enrolment
    744

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

    ConditionEpisodic Migraine
    InterventionStandard of Care (SOC) Migraine Preventive Medication; Atogepant
    PhasePhase 3
    Registry statusCompleted

  • Efficacy, Safety, and Tolerability of Multiple Dosing Regimens of Oral Atogepant (AGN-241689) in Episodic Migraine Prevention

    NCT02848326 · start 2016-09-06

    Registered record
    Registry ID
    NCT02848326
    Conditions
    Migraine, With or Without Aura
    Interventions
    Atogepant; Placebo-matching Atogepant
    Study type
    INTERVENTIONAL
    Phase
    Phase 2 / Phase 3
    Registry status
    Completed
    Start
    2016-09-06
    Completion
    2018-04-23
    Enrolment
    834

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

    ConditionMigraine, With or Without Aura
    InterventionAtogepant; Placebo-matching Atogepant
    PhasePhase 2 / Phase 3
    Registry statusCompleted