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AMR Drug RepurposingSmart Screeningresearch prototype

Trimetrexate Glucuronate

FDA-approved product (injectable, injection), marketed as Neutrexin.

Registered studies
17
Lab records
7
Pathogens at ≥40%
2 of 4

Chemical structure

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

Existing / approved use

Documented · FDA, WHO, ChEMBL

No approved indication recorded

ChEMBL records no approved indication for Trimetrexate Glucuronate. Its therapeutic class is shown instead.

WHO therapeutic group
Other agents against amoebiasis and other protozoal diseases
Anti-infective classification
Classified as another kind of anti-infective (for example an antifungal, antiviral or antiparasitic medicine).WHO ATC P01AX07

Repurposing investigation

This medicine is being investigated here for AI-predicted antimicrobial activity against E. coli 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
  • MRSA34.2% AI-predicted activityBelow the ≥40% mark this site uses to surface candidates.
  • E. coli88.6% AI-predicted activityAt or above the ≥40% mark this site uses to surface candidates. This medicine was in the model's training data, so this is recall, not a new prediction.
  • K. pneumoniae17.7% AI-predicted activityBelow the ≥40% mark this site uses to surface candidates.
  • M. tuberculosis50.0% 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

17registered studies name this medicine, for any condition. See them below.

Experimental

  • E. coli: measured active in 7 of 7 lab records
Open Trimetrexate Glucuronate in ChEMBL Registered studies below
Show the 7 laboratory records, with sources

Loading records…

“Active” means the measured value reached this project’s laboratory cutoff (10 µM or stronger). A laboratory result does not show an effect in patients.

Docking

Computational · nothing measured

Dihydrofolate reductase ↗ (E. coli)

-7.9 kcal/mol

0better fit →-12

KPC-2 carbapenemase ↗ (K. pneumoniae)

-7.8 kcal/mol

0better fit →-12

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

-7.5 kcal/mol

0better fit →-12

Dihydrofolate reductase ↗ (MRSA)

-7.1 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 Trimetrexate Glucuronate 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 of Trimetrexate Plus Leucovorin in Children With Pneumocystis Carinii Pneumonia

    NCT00002317

    Registered record
    Registry ID
    NCT00002317
    Conditions
    Pneumonia, Pneumocystis Carinii; HIV Infections
    Interventions
    Trimetrexate glucuronate; Leucovorin calcium
    Study type
    INTERVENTIONAL
    Phase
    Not applicable
    Registry status
    Completed
    Start
    Not recorded
    Completion
    Not recorded
    Enrolment
    Not recorded

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

    ConditionPneumonia, Pneumocystis Carinii; HIV Infections
    InterventionTrimetrexate glucuronate; Leucovorin calcium
    PhaseNot applicable
    Registry statusCompleted

  • A Study of Neutrexin Plus Leucovorin in the Treatment of Pneumocystis Carinii Pneumonia (PCP)

    NCT00002434

    Registered record
    Registry ID
    NCT00002434
    Conditions
    Pneumonia, Pneumocystis Carinii; HIV Infections
    Interventions
    Trimetrexate glucuronate; Leucovorin calcium
    Study type
    INTERVENTIONAL
    Phase
    Not applicable
    Registry status
    Completed
    Start
    Not recorded
    Completion
    Not recorded
    Enrolment
    Not recorded

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

    ConditionPneumonia, Pneumocystis Carinii; HIV Infections
    InterventionTrimetrexate glucuronate; Leucovorin calcium
    PhaseNot applicable
    Registry statusCompleted