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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.

  • Comparative Study of Oral Atogepant Versus Oral Topiramate to Assess Adverse Events in Adult Participants With Migraine

    NCT05748483 · start 2023-10-07

    Registered record
    Registry ID
    NCT05748483
    Conditions
    Migraine
    Interventions
    Atogepant; Placebo for Atogepant; Topiramate; Placebo for Topiramate
    Study type
    INTERVENTIONAL
    Phase
    Phase 3
    Registry status
    Completed
    Start
    2023-10-07
    Completion
    2026-06-02
    Enrolment
    545

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

    ConditionMigraine
    InterventionAtogepant; Placebo for Atogepant; Topiramate; Placebo for Topiramate
    PhasePhase 3
    Registry statusCompleted

  • Study of Oral Atogepant Tablets to Assess Change in Disease Activity in Adult Japanese Participants With Episodic Migraine

    NCT05861427 · start 2023-07-12

    Registered record
    Registry ID
    NCT05861427
    Conditions
    Migraine
    Interventions
    Atogepant; Placebo for Atogepant
    Study type
    INTERVENTIONAL
    Phase
    Phase 3
    Registry status
    Completed
    Start
    2023-07-12
    Completion
    2025-03-01
    Enrolment
    524

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

    ConditionMigraine
    InterventionAtogepant; Placebo for Atogepant
    PhasePhase 3
    Registry statusCompleted

  • Study to Assess Adverse Events and Compare How Oral Ubrogepant and Oral Atogepant Moves Through the Body of Healthy Female Adult Volunteers

    NCT05892757 · start 2023-07-11

    Registered record
    Registry ID
    NCT05892757
    Conditions
    Healthy Volunteers
    Interventions
    Atogepant; Ubrogepant
    Study type
    INTERVENTIONAL
    Phase
    Phase 1
    Registry status
    Completed
    Start
    2023-07-11
    Completion
    2024-02-22
    Enrolment
    24

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

    ConditionHealthy Volunteers
    InterventionAtogepant; Ubrogepant
    PhasePhase 1
    Registry statusCompleted

  • An Observational Study to Assess Ubrogepant Tablets and Atogepant Tablets to Treat Migraine in Adult Participants

    NCT05827887 · start 2023-06-25

    Registered record
    Registry ID
    NCT05827887
    Conditions
    Migraine
    Interventions
    Not recorded
    Study type
    OBSERVATIONAL
    Phase
    Not recorded
    Registry status
    Completed
    Start
    2023-06-25
    Completion
    2026-01-28
    Enrolment
    226

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

    ConditionMigraine
    InterventionNot recorded
    PhaseNot recorded
    Registry statusCompleted

  • Long-term Extension Study to Assess Adverse Events of Oral Atogepant Tablets in Pediatric Participants (6 to 17 Years of Age) With Migraine

    NCT05707949 · start 2023-06-05

    Registered record
    Registry ID
    NCT05707949
    Conditions
    Migraine Prophylaxis
    Interventions
    Atogepant
    Study type
    INTERVENTIONAL
    Phase
    Phase 3
    Registry status
    Enrolling by invitation
    Start
    2023-06-05
    Completion
    2032-04
    Enrolment
    650

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

    ConditionMigraine Prophylaxis
    InterventionAtogepant
    PhasePhase 3
    Registry statusEnrolling by invitation

  • A Study to Assess the Adverse Events and Change in Disease Activity of Oral Atogepant Tablets in Pediatric Participants (6-17 Years of Age) With Episodic Migraine

    NCT05711394 · start 2023-05-01

    Registered record
    Registry ID
    NCT05711394
    Conditions
    Episodic Migraine
    Interventions
    Atogepant; Placebo-Matching Atogepant
    Study type
    INTERVENTIONAL
    Phase
    Phase 3
    Registry status
    Recruiting
    Start
    2023-05-01
    Completion
    2028-05
    Enrolment
    450

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

    ConditionEpisodic Migraine
    InterventionAtogepant; Placebo-Matching Atogepant
    PhasePhase 3
    Registry statusRecruiting

  • Observational Study to Assess Adverse Events When Adult Female Participants Are Treated With Ubrelvy (Ubrogepant) or Qulipta (Atogepant) During Pregnancy

    NCT05158894 · start 2023-01-10

    Registered record
    Registry ID
    NCT05158894
    Conditions
    Migraine
    Interventions
    Not recorded
    Study type
    OBSERVATIONAL
    Phase
    Not recorded
    Registry status
    Recruiting
    Start
    2023-01-10
    Completion
    2036-01
    Enrolment
    1,884

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

    ConditionMigraine
    InterventionNot recorded
    PhaseNot recorded
    Registry statusRecruiting

  • An Observational Study to Assess Change in Disease Activity When Ubrogepant Tablets Are Combined With Atogepant Tablets to Treat Migraine in Adult Participants

    NCT05653986 · start 2022-12-18

    Registered record
    Registry ID
    NCT05653986
    Conditions
    Migraine
    Interventions
    Not recorded
    Study type
    OBSERVATIONAL
    Phase
    Not recorded
    Registry status
    Completed
    Start
    2022-12-18
    Completion
    2024-08-05
    Enrolment
    391

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

    ConditionMigraine
    InterventionNot recorded
    PhaseNot recorded
    Registry statusCompleted

  • i-NEED: NEw migrainE Drugs Database

    NCT07103694 · start 2022-03-24

    Registered record
    Registry ID
    NCT07103694
    Conditions
    Episodic Migraine; Chronic Migraine; Medication Overuse Headache
    Interventions
    anti-CGRP monoclonal antibodies; gepants; combination of sumatriptan and naproxen; ditan
    Study type
    OBSERVATIONAL
    Phase
    Not recorded
    Registry status
    Recruiting
    Start
    2022-03-24
    Completion
    2026-12-31
    Enrolment
    2,641

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

    ConditionEpisodic Migraine; Chronic Migraine; Medication Overuse Headache
    Interventionanti-CGRP monoclonal antibodies; gepants; combination of sumatriptan and naproxen; ditan
    PhaseNot recorded
    Registry statusRecruiting

  • Study of Oral Atogepant When Added to OnabotulinumtoxinA (BOTOX) to Assess Adverse Events and Change in Disease Activity in Adult Participants With Chronic Migraine

    NCT05216263 · start 2022-03-22

    Registered record
    Registry ID
    NCT05216263
    Conditions
    Chronic Migraine
    Interventions
    Atogepant
    Study type
    INTERVENTIONAL
    Phase
    Phase 3
    Registry status
    Completed
    Start
    2022-03-22
    Completion
    2025-05-02
    Enrolment
    75

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

    ConditionChronic Migraine
    InterventionAtogepant
    PhasePhase 3
    Registry statusCompleted

  • Study to Assess Adverse Events When Ubrogepant Tablets in Combination With Atogepant Tablets Are Used to Treat Adult Participants With Migraine

    NCT05264129 · start 2022-03-07

    Registered record
    Registry ID
    NCT05264129
    Conditions
    Episodic Migraine
    Interventions
    Atogepant; Ubrogepant
    Study type
    INTERVENTIONAL
    Phase
    Phase 4
    Registry status
    Completed
    Start
    2022-03-07
    Completion
    2023-04-04
    Enrolment
    263

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

    ConditionEpisodic Migraine
    InterventionAtogepant; Ubrogepant
    PhasePhase 4
    Registry statusCompleted

  • Study to Assess Adverse Events (AEs) When Oral Atogepant Tablet is Given to Adult Chinese Participants Who Completed Study 3101-303-002 to Prevent Chronic Migraine

    NCT04829747 · start 2021-08-02

    Registered record
    Registry ID
    NCT04829747
    Conditions
    Chronic Migraine
    Interventions
    Atogepant
    Study type
    INTERVENTIONAL
    Phase
    Phase 3
    Registry status
    Completed
    Start
    2021-08-02
    Completion
    2022-01-20
    Enrolment
    3

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

    ConditionChronic Migraine
    InterventionAtogepant
    PhasePhase 3
    Registry statusCompleted

  • Study To Assess Adverse Events and Drug to Drug Interaction of Oral Tablet Atogepant and Ubrogepant in Adult Participants With a History of Migraine

    NCT04818515 · start 2021-03-17

    Registered record
    Registry ID
    NCT04818515
    Conditions
    Migraine
    Interventions
    Atogepant; Ubrogepant
    Study type
    INTERVENTIONAL
    Phase
    Phase 1
    Registry status
    Completed
    Start
    2021-03-17
    Completion
    2021-06-18
    Enrolment
    26

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

    ConditionMigraine
    InterventionAtogepant; Ubrogepant
    PhasePhase 1
    Registry statusCompleted

  • Atogepant for Prophylaxis of Migraine in Participants Who Failed Previous Oral Prophylactic Treatments.

    NCT04740827 · start 2021-03-05

    Registered record
    Registry ID
    NCT04740827
    Conditions
    Episodic Migraine
    Interventions
    Atogepant 60 mg; Placebo
    Study type
    INTERVENTIONAL
    Phase
    Phase 3
    Registry status
    Completed
    Start
    2021-03-05
    Completion
    2022-08-04
    Enrolment
    315

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

    ConditionEpisodic Migraine
    InterventionAtogepant 60 mg; Placebo
    PhasePhase 3
    Registry statusCompleted

  • A Long-Term Safety and Tolerability Extension Study Evaluating Atogepant for the Prevention of Chronic or Episodic Migraine

    NCT04686136 · start 2021-02-19

    Registered record
    Registry ID
    NCT04686136
    Conditions
    Episodic Migraine; Chronic Migraine
    Interventions
    Atogepant 60 mg
    Study type
    INTERVENTIONAL
    Phase
    Phase 3
    Registry status
    Completed
    Start
    2021-02-19
    Completion
    2025-10-20
    Enrolment
    596

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

    ConditionEpisodic Migraine; Chronic Migraine
    InterventionAtogepant 60 mg
    PhasePhase 3
    Registry statusCompleted