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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.

  • A Safety and Efficacy Study of Ustekinumab in Patients With Plaque Psoriasis Who Have Had an Inadequate Response to Methotrexate

    NCT01059773 · start 2009-10

    Registered record
    Registry ID
    NCT01059773
    Conditions
    Psoriasis
    Interventions
    Ustekinumab; Methotrexate
    Study type
    INTERVENTIONAL
    Phase
    Phase 4
    Registry status
    Completed
    Start
    2009-10
    Completion
    2011-08
    Enrolment
    490

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

    ConditionPsoriasis
    InterventionUstekinumab; Methotrexate
    PhasePhase 4
    Registry statusCompleted

  • A Study to Evaluate Ocrelizumab in Combination With Methotrexate Compared With Infliximab Plus Methotrexate in Patients With Active Rheumatoid Arthritis Currently Responding Inadequately to Etanercept or Adalimumab

    NCT00808210 · start 2009-03-05

    Registered record
    Registry ID
    NCT00808210
    Conditions
    Rheumatoid Arthritis
    Interventions
    Infliximab; Methotrexate; Methylprednisolone; Ocrelizumab; Placebo
    Study type
    INTERVENTIONAL
    Phase
    Phase 2
    Registry status
    Terminated
    Start
    2009-03-05
    Completion
    2012-11-14
    Enrolment
    28

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

    ConditionRheumatoid Arthritis
    InterventionInfliximab; Methotrexate; Methylprednisolone; Ocrelizumab +1 more
    PhasePhase 2
    Registry statusTerminated

  • Rituximab for the Treatment of Severe Ocular Manifestations of Behcet's Disease

    NCT00664599 · start 2006-04

    Registered record
    Registry ID
    NCT00664599
    Conditions
    Behcet's Syndrome
    Interventions
    Rituximab; Cytotoxic Combination
    Study type
    INTERVENTIONAL
    Phase
    Phase 2
    Registry status
    Completed
    Start
    2006-04
    Completion
    2008-01
    Enrolment
    20

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

    ConditionBehcet's Syndrome
    InterventionRituximab; Cytotoxic Combination
    PhasePhase 2
    Registry statusCompleted

  • Tacrolimus and Mycophenolate Mofetil (MMF) in GVHD Prophylactic Regimen Compared to Tacrolimus and Methotrexate (MTX

    NCT00360685 · start 2005-09

    Registered record
    Registry ID
    NCT00360685
    Conditions
    Mucositis; Graft-versus-host Disease
    Interventions
    Tac+MTX; TAC + MMF
    Study type
    INTERVENTIONAL
    Phase
    Not applicable
    Registry status
    Completed
    Start
    2005-09
    Completion
    2011-01
    Enrolment
    89

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

    ConditionMucositis; Graft-versus-host Disease
    InterventionTac+MTX; TAC + MMF
    PhaseNot applicable
    Registry statusCompleted

  • A Multicentre Trial to Determine the Efficacy of AD 452 in RA Subjects.

    NCT00141934 · start 2005-08

    Registered record
    Registry ID
    NCT00141934
    Conditions
    Rheumatoid Arthritis
    Interventions
    AD 452
    Study type
    INTERVENTIONAL
    Phase
    Phase 2
    Registry status
    Completed
    Start
    2005-08
    Completion
    Not recorded
    Enrolment
    232

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

    ConditionRheumatoid Arthritis
    InterventionAD 452
    PhasePhase 2
    Registry statusCompleted

  • Methotrexate Followed by Fludarabine in Patients With T-Cell Large Granular Lymphocytic Leukemia

    NCT00278265 · start 2005-06

    Registered record
    Registry ID
    NCT00278265
    Conditions
    T-Cell Large Granular Lymphocytic Leukemia
    Interventions
    MTX followed by fludarabine
    Study type
    INTERVENTIONAL
    Phase
    Phase 2
    Registry status
    Terminated
    Start
    2005-06
    Completion
    2009-12
    Enrolment
    12

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

    ConditionT-Cell Large Granular Lymphocytic Leukemia
    InterventionMTX followed by fludarabine
    PhasePhase 2
    Registry statusTerminated

  • Co-Administration Of Methotrexate And CP-690,550

    NCT01745055 · start 2005-04

    Registered record
    Registry ID
    NCT01745055
    Conditions
    Rheumatoid Arthritis
    Interventions
    CP-690,550 (tofacitinib); Methotrexate (MTX)
    Study type
    INTERVENTIONAL
    Phase
    Phase 1
    Registry status
    Completed
    Start
    2005-04
    Completion
    2006-06
    Enrolment
    12

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

    ConditionRheumatoid Arthritis
    InterventionCP-690,550 (tofacitinib); Methotrexate (MTX)
    PhasePhase 1
    Registry statusCompleted

  • Chemotherapy With or Without Imatinib and/or Peripheral Stem Cell Transplant in Acute Lymphoblastic Leukemia

    NCT00458848 · start 2004-10

    Registered record
    Registry ID
    NCT00458848
    Conditions
    Leukemia
    Interventions
    asparaginase; daunorubicin hydrochloride; etoposide; idarubicin; imatinib mesylate; mercaptopurine; methotrexate; methylprednisolone; mitoxantrone hydrochloride; prednisone; vincristine sulfate; allogeneic hematopoietic stem cell transplantation; autologous hematopoietic stem cell transplantation; peripheral blood stem cell transplantation; radiation therapy
    Study type
    INTERVENTIONAL
    Phase
    Phase 2
    Registry status
    Completed
    Start
    2004-10
    Completion
    2014-03
    Enrolment
    470

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

    ConditionLeukemia
    Interventionasparaginase; daunorubicin hydrochloride; etoposide; idarubicin +11 more
    PhasePhase 2
    Registry statusCompleted

  • Study of Therapeutic Options for Subjects Discontinuing Efalizumab and Experiencing Disease Recurrence

    NCT01079988 · start 2004-02

    Registered record
    Registry ID
    NCT01079988
    Conditions
    Psoriasis
    Interventions
    Cyclosporins; Retinoids; Systemic corticosteroids; Methotrexate; Systemic corticosteroids/methotrexate
    Study type
    INTERVENTIONAL
    Phase
    Phase 4
    Registry status
    Completed
    Start
    2004-02
    Completion
    2005-04
    Enrolment
    41

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

    ConditionPsoriasis
    InterventionCyclosporins; Retinoids; Systemic corticosteroids; Methotrexate +1 more
    PhasePhase 4
    Registry statusCompleted

  • Combination Chemotherapy and Filgrastim Before Surgery in Treating Patients With HER2-Positive Breast Cancer That Can Be Removed By Surgery

    NCT00194779 · start 2003-10

    Registered record
    Registry ID
    NCT00194779
    Conditions
    Estrogen Receptor-negative Breast Cancer; Estrogen Receptor-positive Breast Cancer; HER2-positive Breast Cancer; Progesterone Receptor-negative Breast Cancer; Progesterone Receptor-positive Breast Cancer; Stage IA Breast Cancer; Stage IB Breast Cancer; Stage II Breast Cancer; Stage IIIA Breast Cancer
    Interventions
    doxorubicin hydrochloride; cyclophosphamide; paclitaxel; filgrastim; capecitabine; methotrexate; vinorelbine tartrate; needle biopsy; therapeutic conventional surgery; immunohistochemistry staining method; trastuzumab; tamoxifen citrate; letrozole; laboratory biomarker analysis
    Study type
    INTERVENTIONAL
    Phase
    Phase 2
    Registry status
    Completed
    Start
    2003-10
    Completion
    2011-06
    Enrolment
    50

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

    ConditionEstrogen Receptor-negative Breast Cancer; Estrogen Receptor-positive Breast Cancer; HER2-positive Breast Cancer; Progesterone Receptor-negative Breast Cancer +5 more
    Interventiondoxorubicin hydrochloride; cyclophosphamide; paclitaxel; filgrastim +10 more
    PhasePhase 2
    Registry statusCompleted

  • Imatinib Mesylate, Busulfan, Fludarabine, and Antithymocyte Globulin for CML Patients

    NCT00499889 · start 2003-02

    Registered record
    Registry ID
    NCT00499889
    Conditions
    Leukemia
    Interventions
    Imatinib Mesylate; Fludarabine (Fludara); Busulfan; Antithymocyte Globulin (ATG); Tacrolimus; Methotrexate; Donor lymphocyte infusion (DLI); Stem Cell Transplant
    Study type
    INTERVENTIONAL
    Phase
    Phase 2
    Registry status
    Terminated
    Start
    2003-02
    Completion
    2009-11
    Enrolment
    42

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

    ConditionLeukemia
    InterventionImatinib Mesylate; Fludarabine (Fludara); Busulfan; Antithymocyte Globulin (ATG) +4 more
    PhasePhase 2
    Registry statusTerminated

  • Study of Imatinib-Combined Chemotherapy for BCR-ABL-Positive Acute Lymphoblastic Leukemia (ALL)

    NCT00130195 · start 2002-09

    Registered record
    Registry ID
    NCT00130195
    Conditions
    Acute Lymphoblastic Leukemia
    Interventions
    imatinib; cyclophosphamide; daunorubicin; vincristine; prednisolone; methotrexate; cytarabine; dexamethasone
    Study type
    INTERVENTIONAL
    Phase
    Phase 2
    Registry status
    Completed
    Start
    2002-09
    Completion
    2008-05
    Enrolment
    100

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

    ConditionAcute Lymphoblastic Leukemia
    Interventionimatinib; cyclophosphamide; daunorubicin; vincristine +4 more
    PhasePhase 2
    Registry statusCompleted

  • Rituximab and Hyper-CVAD (Cyclophosphamide, Vincristine, Adriamycin, and Dexamethasone) for Burkitt's and Burkitt's -Like Leukemia/Lymphoma

    NCT00669877 · start 2002-08

    Registered record
    Registry ID
    NCT00669877
    Conditions
    Burkitt's Lymphoma; Burkitt'S-like Lymphoma
    Interventions
    Rituximab; Cyclophosphamide; Doxorubicin; Vincristine; Dexamethasone; G-CSF; Cytarabine; Methotrexate
    Study type
    INTERVENTIONAL
    Phase
    Phase 2
    Registry status
    Completed
    Start
    2002-08
    Completion
    2015-10
    Enrolment
    56

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

    ConditionBurkitt's Lymphoma; Burkitt'S-like Lymphoma
    InterventionRituximab; Cyclophosphamide; Doxorubicin; Vincristine +4 more
    PhasePhase 2
    Registry statusCompleted

  • TITLE:Less Intensive Therapy for Children With Non-Hodgkin's Lymphoma

    NCT00002757 · start 2001-06

    Registered record
    Registry ID
    NCT00002757
    Conditions
    Leukemia; Lymphoma
    Interventions
    filgrastim; cyclophosphamide; cytarabine; doxorubicin hydrochloride; etoposide; methotrexate; prednisolone; prednisone; therapeutic hydrocortisone; vincristine sulfate
    Study type
    INTERVENTIONAL
    Phase
    Phase 3
    Registry status
    Completed
    Start
    2001-06
    Completion
    2009-10
    Enrolment
    1,148

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

    ConditionLeukemia; Lymphoma
    Interventionfilgrastim; cyclophosphamide; cytarabine; doxorubicin hydrochloride +6 more
    PhasePhase 3
    Registry statusCompleted

  • Two-Dose Methotrexate for Ectopic Pregnancy

    NCT00194272 · start 2001-03

    Registered record
    Registry ID
    NCT00194272
    Conditions
    Ectopic Pregnancy
    Interventions
    Methotrexate
    Study type
    INTERVENTIONAL
    Phase
    Phase 3
    Registry status
    Completed
    Start
    2001-03
    Completion
    2007-06
    Enrolment
    100

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

    ConditionEctopic Pregnancy
    InterventionMethotrexate
    PhasePhase 3
    Registry statusCompleted