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AMR Drug RepurposingSmart Screeningresearch prototype

Methotrexate

FDA-approved product (solution, subcutaneous), marketed as Jylamvo, Methotrexate, Otrexup and 15 more.

Registered studies
50+
Lab records
22
Pathogens at ≥40%
3 of 4

Chemical structure

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

Existing / approved use

Documented · FDA, WHO, ChEMBL

Approved for

  • Acute lymphoblastic leukemia
  • Adenoma
  • Arthritis
  • B-cell acute lymphoblastic leukemia
  • Breast cancer
  • Breast carcinoma
  • Breast neoplasm
  • Cancer
  • Childhood acute lymphoblastic leukemia
  • Choriocarcinoma
  • Fungal infectious disease
  • Immune system disease
  • Juvenile idiopathic arthritis
  • Leptomeningeal metastasis
  • Lung cancer
  • Lymphoblastic lymphoma
  • and 8 more

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

WHO therapeutic group
Folic acid analogues; Other immunosuppressants
FDA pharmacologic class
Folate Analog Metabolic Inhibitor 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
  • MRSA64.1% AI-predicted activityAt or above the ≥40% mark this site uses to surface candidates.
  • E. coli86.8% 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. pneumoniae27.8% AI-predicted activityBelow the ≥40% mark this site uses to surface candidates.
  • M. tuberculosis68.1% 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 21 of 22 lab records
Open Methotrexate in ChEMBL Registered studies below
Show the 22 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 Methotrexate 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.

  • Fludarabine and Cyclophosphamide in Treating Patients Who Are Undergoing Donor Stem Cell Transplant for Chronic Lymphocytic Leukemia or Waldenstrom's Macroglobulinemia

    NCT00281983 · start 2000-06

    Registered record
    Registry ID
    NCT00281983
    Conditions
    Chronic Lymphocytic Leukemia
    Interventions
    alemtuzumab; anti-thymocyte globulin; filgrastim; rituximab; therapeutic allogeneic lymphocytes; busulfan; cyclophosphamide; cyclosporine; fludarabine phosphate; methotrexate; mycophenolate mofetil; peripheral blood stem cell transplantation; radiation therapy
    Study type
    INTERVENTIONAL
    Phase
    Phase 1 / Phase 2
    Registry status
    Completed
    Start
    2000-06
    Completion
    2010-07
    Enrolment
    100

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

    ConditionChronic Lymphocytic Leukemia
    Interventionalemtuzumab; anti-thymocyte globulin; filgrastim; rituximab +9 more
    PhasePhase 1 / Phase 2
    Registry statusCompleted

  • Methotrexate Alone Versus Combination of Methotrexate and Subcutaneous Fludarabine for Severe Rheumatoid Arthritis: Safety, Tolerance and Efficacy

    NCT00001677 · start 1998-06

    Registered record
    Registry ID
    NCT00001677
    Conditions
    Arthritis, Rheumatoid; Synovitis
    Interventions
    Methotrexate; Fludarabine
    Study type
    INTERVENTIONAL
    Phase
    Phase 2
    Registry status
    Completed
    Start
    1998-06
    Completion
    2000-04
    Enrolment
    40

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

    ConditionArthritis, Rheumatoid; Synovitis
    InterventionMethotrexate; Fludarabine
    PhasePhase 2
    Registry statusCompleted

  • Combination Chemotherapy in Treating Patients With Stage II Bladder Cancer

    NCT00002919 · start 1996-11

    Registered record
    Registry ID
    NCT00002919
    Conditions
    Bladder Cancer
    Interventions
    filgrastim; cisplatin; doxorubicin hydrochloride; methotrexate; vinblastine sulfate; conventional surgery
    Study type
    INTERVENTIONAL
    Phase
    Phase 2
    Registry status
    Completed
    Start
    1996-11
    Completion
    2003-01
    Enrolment
    30

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

    ConditionBladder Cancer
    Interventionfilgrastim; cisplatin; doxorubicin hydrochloride; methotrexate +2 more
    PhasePhase 2
    Registry statusCompleted

  • Combination Chemotherapy in Treating Children With Lymphoma

    NCT00002590 · start 1994-07

    Registered record
    Registry ID
    NCT00002590
    Conditions
    Lymphoma
    Interventions
    filgrastim; cyclophosphamide; cytarabine; daunorubicin hydrochloride; doxorubicin hydrochloride; etoposide; leucovorin calcium; methotrexate; pegaspargase; prednisone; thioguanine; vincristine sulfate; radiation therapy
    Study type
    INTERVENTIONAL
    Phase
    Phase 2
    Registry status
    Completed
    Start
    1994-07
    Completion
    2007-03
    Enrolment
    221

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

    ConditionLymphoma
    Interventionfilgrastim; cyclophosphamide; cytarabine; daunorubicin hydrochloride +9 more
    PhasePhase 2
    Registry statusCompleted

  • Combination Chemotherapy in Treating Patients With Non-Hodgkin's Lymphoma or Acute Lymphocytic Leukemia

    NCT00002494 · start 1992-05

    Registered record
    Registry ID
    NCT00002494
    Conditions
    Leukemia; Lymphoma
    Interventions
    cyclophosphamide; cytarabine; dexamethasone; doxorubicin hydrochloride; etoposide; ifosfamide; leucovorin calcium; mesna; methotrexate; prednisone; therapeutic hydrocortisone; vincristine sulfate; low-LET cobalt-60 gamma ray therapy; low-LET photon therapy
    Study type
    INTERVENTIONAL
    Phase
    Phase 2
    Registry status
    Completed
    Start
    1992-05
    Completion
    2006-01
    Enrolment
    134

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

    ConditionLeukemia; Lymphoma
    Interventioncyclophosphamide; cytarabine; dexamethasone; doxorubicin hydrochloride +10 more
    PhasePhase 2
    Registry statusCompleted