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AMR Drug RepurposingSmart Screeningresearch prototype

Pemetrexed

FDA-approved product (solution, intravenous), marketed as Pemetrexed, Pemfexy, Axtle and 3 more.

Registered studies
50+
Lab records
6
Pathogens at ≥40%
1 of 4

Chemical structure

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

Existing / approved use

Documented · FDA, WHO, ChEMBL

Approved for

  • Adenocarcinoma
  • Cancer
  • Large cell lung carcinoma
  • Lung large cell carcinoma
  • Malignant Mesothelioma
  • Malignant peritoneal mesothelioma
  • Malignant pleural mesothelioma
  • Mesothelioma
  • Neoplasm
  • Non-small cell lung carcinoma

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

WHO therapeutic group
Folic acid analogues
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. It was surfaced computationally for further investigation; it is not an established treatment for this infection.

AI-predicted activity

AI prediction · nothing measured
  • MRSA35.7% AI-predicted activityBelow the ≥40% mark this site uses to surface candidates.
  • E. coli13.5% AI-predicted activityBelow 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. pneumoniae28.8% AI-predicted activityBelow the ≥40% mark this site uses to surface candidates.
  • M. tuberculosis48.8% 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

  • E. coli: measured active in 2 of 6 lab records
Open Pemetrexed in ChEMBL Registered studies below
Show the 6 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)

Not yet docked: queued in the docking rundetails

KPC-2 carbapenemase ↗ (K. pneumoniae)

Not yet docked: queued in the docking rundetails

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

Not yet docked: queued in the docking rundetails

Dihydrofolate reductase ↗ (MRSA)

Not yet docked: queued in the docking rundetails

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 Pemetrexed 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.

  • Study Of CP-751,871 In Combination With Cisplatin And Gemcitabine In Chemotherapy-Naïve Patients With Advanced Non-Small Cell Lung Cancer

    NCT00560573 · start 2007-11

    Registered record
    Registry ID
    NCT00560573
    Conditions
    Carcinoma, Non-Small-Cell Lung
    Interventions
    CP-751,871; Cisplatin; Gemcitabine; Pemetrexed
    Study type
    INTERVENTIONAL
    Phase
    Phase 1
    Registry status
    Completed
    Start
    2007-11
    Completion
    2010-03
    Enrolment
    46

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

    ConditionCarcinoma, Non-Small-Cell Lung
    InterventionCP-751,871; Cisplatin; Gemcitabine; Pemetrexed
    PhasePhase 1
    Registry statusCompleted

  • Pemetrexed in Patients With Soft Tissue Sarcoma

    NCT00427466 · start 2007-01

    Registered record
    Registry ID
    NCT00427466
    Conditions
    Sarcoma
    Interventions
    Pemetrexed
    Study type
    INTERVENTIONAL
    Phase
    Phase 2
    Registry status
    Completed
    Start
    2007-01
    Completion
    2008-12
    Enrolment
    54

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

    ConditionSarcoma
    InterventionPemetrexed
    PhasePhase 2
    Registry statusCompleted

  • Pemetrexed Plus Gemcitabine or Carboplatin for Patients With Advanced Malignant Pleural Mesothelioma

    NCT00101283 · start 2006-02-23

    Registered record
    Registry ID
    NCT00101283
    Conditions
    Mesothelioma
    Interventions
    pemetrexed disodium; gemcitabine hydrochloride; carboplatin
    Study type
    INTERVENTIONAL
    Phase
    Phase 2
    Registry status
    Completed
    Start
    2006-02-23
    Completion
    2011-05
    Enrolment
    32

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

    ConditionMesothelioma
    Interventionpemetrexed disodium; gemcitabine hydrochloride; carboplatin
    PhasePhase 2
    Registry statusCompleted

  • Pemetrexed Disodium and Carboplatin in Treating Patients With Extensive-Stage Small Cell Lung Cancer

    NCT00227565 · start 2006-02

    Registered record
    Registry ID
    NCT00227565
    Conditions
    Lung Cancer
    Interventions
    carboplatin; pemetrexed disodium; radiation
    Study type
    INTERVENTIONAL
    Phase
    Phase 2
    Registry status
    Completed
    Start
    2006-02
    Completion
    2009-10
    Enrolment
    50

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

    ConditionLung Cancer
    Interventioncarboplatin; pemetrexed disodium; radiation
    PhasePhase 2
    Registry statusCompleted

  • A Study of Biweekly Pemetrexed and Gemcitabine in Patients With Metastatic Breast Cancer

    NCT00191347 · start 2004-10

    Registered record
    Registry ID
    NCT00191347
    Conditions
    Breast Cancer
    Interventions
    pemetrexed; gemcitabine
    Study type
    INTERVENTIONAL
    Phase
    Phase 2
    Registry status
    Completed
    Start
    2004-10
    Completion
    2005-11
    Enrolment
    30

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

    ConditionBreast Cancer
    Interventionpemetrexed; gemcitabine
    PhasePhase 2
    Registry statusCompleted