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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 MRSA, 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
  • 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.

  • Study of Palifermin (Kepivance) in Persons Undergoing Unrelated Donor Allogeneic Hematopoietic Cell Transplantation

    NCT02356159 · start 2015-09-24

    Registered record
    Registry ID
    NCT02356159
    Conditions
    Myelodysplastic Syndromes; Hodgkin's Lymphoma; Non-Hodgkin's Lymphoma; Acute Leukemia; Multiple Myeloma
    Interventions
    Rituximab; Conditioning chemotherapy; TMS; FLAG; EPOCH-F; Hematopoietic stem cell transplant; Palifermin; Acetaminophen; Diphenhydramine; Prednisone; Epinephrine; IV Saline; ECG; ECHO; MUGA; DEXA; CT chest; PET; MRI; BM aspirate; BM biopsy; Lumbar puncture
    Study type
    INTERVENTIONAL
    Phase
    Phase 1 / Phase 2
    Registry status
    Completed
    Start
    2015-09-24
    Completion
    2025-03-25
    Enrolment
    34

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

    ConditionMyelodysplastic Syndromes; Hodgkin's Lymphoma; Non-Hodgkin's Lymphoma; Acute Leukemia +1 more
    InterventionRituximab; Conditioning chemotherapy; TMS; FLAG +18 more
    PhasePhase 1 / Phase 2
    Registry statusCompleted

  • Crenolanib in Combination With Sorafenib in Patients With Refractory or Relapsed Hematologic Malignancies

    NCT02270788 · start 2015-04-02

    Registered record
    Registry ID
    NCT02270788
    Conditions
    Acute Myeloid Leukemia
    Interventions
    Crenolanib; Sorafenib; methotrexate, hydrocortisone and cytarabine with leucovorin
    Study type
    INTERVENTIONAL
    Phase
    Phase 1
    Registry status
    Completed
    Start
    2015-04-02
    Completion
    2016-10-17
    Enrolment
    10

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

    ConditionAcute Myeloid Leukemia
    InterventionCrenolanib; Sorafenib; methotrexate, hydrocortisone and cytarabine with leucovorin
    PhasePhase 1
    Registry statusCompleted

  • Combination Chemotherapy With or Without Blinatumomab in Treating Patients With Newly Diagnosed BCR-ABL-Negative B Lineage Acute Lymphoblastic Leukemia

    NCT02003222 · start 2014-05-19

    Registered record
    Registry ID
    NCT02003222
    Conditions
    Acute Lymphoblastic Leukemia; B Acute Lymphoblastic Leukemia, Philadelphia Chromosome Negative
    Interventions
    Allogeneic Hematopoietic Stem Cell Transplantation; Biospecimen Collection; Blinatumomab; Bone Marrow Aspiration; Bone Marrow Biopsy; Cyclophosphamide; Cytarabine; Daunorubicin; Daunorubicin Hydrochloride; Dexamethasone; Etoposide; Leucovorin Calcium; Lumbar Puncture; Mercaptopurine; Methotrexate; Pegaspargase; Prednisone; Rituximab; Vincristine; Vincristine Sulfate; X-Ray Imaging
    Study type
    INTERVENTIONAL
    Phase
    Phase 3
    Registry status
    Active not recruiting
    Start
    2014-05-19
    Completion
    2027-02-25
    Enrolment
    488

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

    ConditionAcute Lymphoblastic Leukemia; B Acute Lymphoblastic Leukemia, Philadelphia Chromosome Negative
    InterventionAllogeneic Hematopoietic Stem Cell Transplantation; Biospecimen Collection; Blinatumomab; Bone Marrow Aspiration +17 more
    PhasePhase 3
    Registry statusActive not recruiting

  • TPM Regimen (Thalidomide, Prednisone and Methotrexate) in LGLL

    NCT04453345 · start 2013-05-20

    Registered record
    Registry ID
    NCT04453345
    Conditions
    T-LGL Leukemia; Clpd-Nk
    Interventions
    thalidomide + prednisone + methotrexate
    Study type
    INTERVENTIONAL
    Phase
    Phase 2 / Phase 3
    Registry status
    Unknown
    Start
    2013-05-20
    Completion
    2025-05-20
    Enrolment
    42

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

    ConditionT-LGL Leukemia; Clpd-Nk
    Interventionthalidomide + prednisone + methotrexate
    PhasePhase 2 / Phase 3
    Registry statusUnknown

  • MESA Treatment for NK/T Cell Lymphoma

    NCT01933282 · start 2013-01

    Registered record
    Registry ID
    NCT01933282
    Conditions
    Lymphoma, Extranodal NK-T-Cell
    Interventions
    MESA chemotherapy; MESA
    Study type
    INTERVENTIONAL
    Phase
    Phase 2
    Registry status
    Unknown
    Start
    2013-01
    Completion
    2015-01
    Enrolment
    100

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

    ConditionLymphoma, Extranodal NK-T-Cell
    InterventionMESA chemotherapy; MESA
    PhasePhase 2
    Registry statusUnknown

  • A Dose Range Finding Study of JNJ-38518168 in Patients With Active Rheumatoid Arthritis in Spite of Treatment With Methotrexate

    NCT01679951 · start 2012-10-31

    Registered record
    Registry ID
    NCT01679951
    Conditions
    Rheumatoid Arthritis
    Interventions
    Placebo; JNJ-38518168 (3 mg); JNJ-38518168 (10 mg); JNJ-38518168 (30 mg); Methotrexate
    Study type
    INTERVENTIONAL
    Phase
    Phase 2
    Registry status
    Terminated
    Start
    2012-10-31
    Completion
    2014-07-03
    Enrolment
    272

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

    ConditionRheumatoid Arthritis
    InterventionPlacebo; JNJ-38518168 (3 mg); JNJ-38518168 (10 mg); JNJ-38518168 (30 mg) +1 more
    PhasePhase 2
    Registry statusTerminated

  • A Study in Moderate to Severe Rheumatoid Arthritis

    NCT01710358 · start 2012-10

    Registered record
    Registry ID
    NCT01710358
    Conditions
    Rheumatoid Arthritis
    Interventions
    Adalimumab; Baricitinib; Methotrexate; Adalimumab Placebo; Baricitinib Placebo
    Study type
    INTERVENTIONAL
    Phase
    Phase 3
    Registry status
    Completed
    Start
    2012-10
    Completion
    2015-09
    Enrolment
    1,307

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

    ConditionRheumatoid Arthritis
    InterventionAdalimumab; Baricitinib; Methotrexate; Adalimumab Placebo +1 more
    PhasePhase 3
    Registry statusCompleted

  • Dose-ranging Study With GLPG0634 in Methotrexate-refractory Active Rheumatoid Arthritis Patients

    NCT01668641 · start 2012-05

    Registered record
    Registry ID
    NCT01668641
    Conditions
    Rheumatoid Arthritis
    Interventions
    GLPG0634; Placebo
    Study type
    INTERVENTIONAL
    Phase
    Phase 2
    Registry status
    Completed
    Start
    2012-05
    Completion
    2012-10
    Enrolment
    91

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

    ConditionRheumatoid Arthritis
    InterventionGLPG0634; Placebo
    PhasePhase 2
    Registry statusCompleted

  • AC220 for Children With Relapsed/Refractory ALL or AML

    NCT01411267 · start 2011-09-01

    Registered record
    Registry ID
    NCT01411267
    Conditions
    Lymphoblastic Leukemia, Acute, Childhood; Myelogenous Leukemia, Acute, Childhood
    Interventions
    AC220; Cytarabine; Etoposide; Methotrexate
    Study type
    INTERVENTIONAL
    Phase
    Phase 1
    Registry status
    Completed
    Start
    2011-09-01
    Completion
    2013-09-12
    Enrolment
    24

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

    ConditionLymphoblastic Leukemia, Acute, Childhood; Myelogenous Leukemia, Acute, Childhood
    InterventionAC220; Cytarabine; Etoposide; Methotrexate
    PhasePhase 1
    Registry statusCompleted

  • The CORRONA Treat to Target Trial: Outcomes and Feasibility in a US Population

    NCT01407419 · start 2011-07

    Registered record
    Registry ID
    NCT01407419
    Conditions
    Rheumatoid Arthritis
    Interventions
    Treatment Acceleration; Monthly Assessment
    Study type
    INTERVENTIONAL
    Phase
    Not applicable
    Registry status
    Completed
    Start
    2011-07
    Completion
    2014-07
    Enrolment
    538

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

    ConditionRheumatoid Arthritis
    InterventionTreatment Acceleration; Monthly Assessment
    PhaseNot applicable
    Registry statusCompleted

  • Treatment of Non-infectious Intermediate and Posterior Uveitis Associated Macular Edema With Intravitreal Methotrexate

    NCT01314417 · start 2011-02

    Registered record
    Registry ID
    NCT01314417
    Conditions
    Non-infectious Intermediate and Posterior Uveitis
    Interventions
    Methotrexate
    Study type
    INTERVENTIONAL
    Phase
    Phase 1 / Phase 2
    Registry status
    Terminated
    Start
    2011-02
    Completion
    2013-01
    Enrolment
    2

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

    ConditionNon-infectious Intermediate and Posterior Uveitis
    InterventionMethotrexate
    PhasePhase 1 / Phase 2
    Registry statusTerminated

  • Treatment of Natural Killer/T Cell Lymphoma-Ⅲ/Ⅳ

    NCT01501149 · start 2011-01

    Registered record
    Registry ID
    NCT01501149
    Conditions
    Nasal and Nasal-type NK/T-cell Lymphoma
    Interventions
    DDGP(cisplatin,dexamethasone,gemcitabine,pegaspargase); Modified SMILE （MTX，DEX，IFO，L-ASP，Etoposide，Mesna）
    Study type
    INTERVENTIONAL
    Phase
    Phase 4
    Registry status
    Unknown
    Start
    2011-01
    Completion
    2019-05
    Enrolment
    80

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

    ConditionNasal and Nasal-type NK/T-cell Lymphoma
    InterventionDDGP(cisplatin,dexamethasone,gemcitabine,pegaspargase); Modified SMILE （MTX，DEX，IFO，L-ASP，Etoposide，Mesna）
    PhasePhase 4
    Registry statusUnknown

  • A Rheumatoid Arthritis Study in Participants on a Background Treatment of Methotrexate

    NCT01198002 · start 2010-12

    Registered record
    Registry ID
    NCT01198002
    Conditions
    Rheumatoid Arthritis
    Interventions
    LY2127399; Placebo Q2W; Placebo Q4W; Methotrexate
    Study type
    INTERVENTIONAL
    Phase
    Phase 3
    Registry status
    Terminated
    Start
    2010-12
    Completion
    2014-01
    Enrolment
    1,041

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

    ConditionRheumatoid Arthritis
    InterventionLY2127399; Placebo Q2W; Placebo Q4W; Methotrexate
    PhasePhase 3
    Registry statusTerminated

  • International Collaborative Treatment Protocol For Children And Adolescents With Acute Lymphoblastic Leukemia

    NCT01117441 · start 2010-06

    Registered record
    Registry ID
    NCT01117441
    Conditions
    Leukemia
    Interventions
    PEG-L-asparaginase; cyclophosphamide; cytarabine; daunorubicin hydrochloride; dexamethasone; doxorubicin hydrochloride; etoposide; ifosfamide; mercaptopurine; methotrexate; prednisone; thioguanine; vincristine sulfate; vindesine; daunoxome; fludarabine; Radiation Therapy
    Study type
    INTERVENTIONAL
    Phase
    Phase 3
    Registry status
    Completed
    Start
    2010-06
    Completion
    2021-12-31
    Enrolment
    6,136

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

    ConditionLeukemia
    InterventionPEG-L-asparaginase; cyclophosphamide; cytarabine; daunorubicin hydrochloride +13 more
    PhasePhase 3
    Registry statusCompleted

  • A Study to Investigate the Use of Golimumab (Simponi®) in Participants With Rheumatoid Arthritis, Psoriatic Arthritis and Ankylosing Spondylitis (P06554)

    NCT01313858 · start 2010-04

    Registered record
    Registry ID
    NCT01313858
    Conditions
    Arthritis, Rheumatoid; Arthritis, Psoriatic; Spondylitis, Ankylosing
    Interventions
    Simponi®; Methotrexate
    Study type
    OBSERVATIONAL
    Phase
    Not recorded
    Registry status
    Completed
    Start
    2010-04
    Completion
    2015-09
    Enrolment
    1,613

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

    ConditionArthritis, Rheumatoid; Arthritis, Psoriatic; Spondylitis, Ankylosing
    InterventionSimponi®; Methotrexate
    PhaseNot recorded
    Registry statusCompleted