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AMR Drug RepurposingSmart Screeningresearch prototype

Ponesimod

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

Registered studies
22
Lab records
0
Pathogens at ≥40%
3 of 4

Chemical structure

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

Existing / approved use

Documented · FDA, WHO, ChEMBL

Approved for

  • Multiple sclerosis
  • Relapsing-remitting multiple sclerosis

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

WHO therapeutic group
Sphingosine-1-phosphate (s1p) receptor modulators
FDA pharmacologic class
Sphingosine 1-phosphate Receptor Modulator 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
  • MRSA51.3% AI-predicted activityAt or above the ≥40% mark this site uses to surface candidates.
  • E. coli41.8% AI-predicted activityAt or above the ≥40% mark this site uses to surface candidates.
  • K. pneumoniae30.4% AI-predicted activityBelow the ≥40% mark this site uses to surface candidates.
  • M. tuberculosis46.2% 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

22registered 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 Ponesimod in ChEMBL Registered studies below

Docking

Computational · nothing measured

Dihydrofolate reductase ↗ (E. coli)

-6.9 kcal/mol

0better fit →-12

KPC-2 carbapenemase ↗ (K. pneumoniae)

-5.8 kcal/mol

0better fit →-12

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

-7.1 kcal/mol

0better fit →-12

Dihydrofolate reductase ↗ (MRSA)

-7.7 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 Ponesimod 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.

  • ACT-128800 in Patients With Moderate to Severe Chronic Plaque Psoriasis

    NCT01208090 · start 2010-10-31

    Registered record
    Registry ID
    NCT01208090
    Conditions
    Psoriasis
    Interventions
    ACT-128800; Placebo
    Study type
    INTERVENTIONAL
    Phase
    Phase 2
    Registry status
    Completed
    Start
    2010-10-31
    Completion
    2012-11-30
    Enrolment
    326

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

    ConditionPsoriasis
    InterventionACT-128800; Placebo
    PhasePhase 2
    Registry statusCompleted

  • Clinical Study to Investigate the Long-term Safety, Tolerability, and Efficacy of Ponesimod in Patients With Relapsing-remitting Multiple Sclerosis

    NCT01093326 · start 2010-05-12

    Registered record
    Registry ID
    NCT01093326
    Conditions
    Multiple Sclerosis
    Interventions
    Ponesimod 10 mg; Ponesimod 20 mg; Ponesimod 40 mg
    Study type
    INTERVENTIONAL
    Phase
    Phase 2
    Registry status
    Completed
    Start
    2010-05-12
    Completion
    2023-09-06
    Enrolment
    353

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

    ConditionMultiple Sclerosis
    InterventionPonesimod 10 mg; Ponesimod 20 mg; Ponesimod 40 mg
    PhasePhase 2
    Registry statusCompleted

  • Study to Investigate the Safety, Tolerability, Pharmacokinetics, and Pharmacodynamics of ACT-128800 in Healthy Subjects

    NCT02029482 · start 2010-04

    Registered record
    Registry ID
    NCT02029482
    Conditions
    Safety and Tolerability
    Interventions
    ACT-128800; Placebo
    Study type
    INTERVENTIONAL
    Phase
    Phase 1
    Registry status
    Completed
    Start
    2010-04
    Completion
    2010-06
    Enrolment
    16

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

    ConditionSafety and Tolerability
    InterventionACT-128800; Placebo
    PhasePhase 1
    Registry statusCompleted

  • Clinical Study to Evaluate the Efficacy, Safety, and Tolerability of ACT-128800 in Patients With Relapsing-remitting Multiple Sclerosis

    NCT01006265 · start 2009-10-01

    Registered record
    Registry ID
    NCT01006265
    Conditions
    Multiple Sclerosis
    Interventions
    ACT-128800 Dose 1; Placebo; ACT-128800 Dose 2; ACT-128800 Dose 3
    Study type
    INTERVENTIONAL
    Phase
    Phase 2
    Registry status
    Completed
    Start
    2009-10-01
    Completion
    2011-07-01
    Enrolment
    464

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

    ConditionMultiple Sclerosis
    InterventionACT-128800 Dose 1; Placebo; ACT-128800 Dose 2; ACT-128800 Dose 3
    PhasePhase 2
    Registry statusCompleted

  • Mass Balance, Pharmacokinetics, and Metabolism of 14C-labeled ACT-128800 Administered to Healthy Male Subjects

    NCT02126956 · start 2009-03

    Registered record
    Registry ID
    NCT02126956
    Conditions
    Pharmacokinetics
    Interventions
    ACT-128800
    Study type
    INTERVENTIONAL
    Phase
    Phase 1
    Registry status
    Completed
    Start
    2009-03
    Completion
    2009-04
    Enrolment
    6

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

    ConditionPharmacokinetics
    InterventionACT-128800
    PhasePhase 1
    Registry statusCompleted

  • Study to Evaluate the Pharmacokinetics, Tolerability, and Safety of ACT-128800 in Japanese and Caucasian Healthy Male and Female Subjects

    NCT02223832 · start 2009-02

    Registered record
    Registry ID
    NCT02223832
    Conditions
    Healthy
    Interventions
    ACT-128800
    Study type
    INTERVENTIONAL
    Phase
    Phase 1
    Registry status
    Completed
    Start
    2009-02
    Completion
    2009-04
    Enrolment
    20

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

    ConditionHealthy
    InterventionACT-128800
    PhasePhase 1
    Registry statusCompleted

  • ACT-128800 in Psoriasis

    NCT00852670 · start 2008-10

    Registered record
    Registry ID
    NCT00852670
    Conditions
    Plaque Psoriasis
    Interventions
    ACT-128800; Placebo
    Study type
    INTERVENTIONAL
    Phase
    Phase 2
    Registry status
    Completed
    Start
    2008-10
    Completion
    2009-09
    Enrolment
    66

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

    ConditionPlaque Psoriasis
    InterventionACT-128800; Placebo
    PhasePhase 2
    Registry statusCompleted