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AMR Drug RepurposingSmart Screeningresearch prototype

Vismodegib

FDA-approved product (capsule, oral), marketed as Erivedge.

Registered studies
50+
Lab records
0
Pathogens at ≥40%
2 of 4

Chemical structure

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

Existing / approved use

Documented · FDA, WHO, ChEMBL

Approved for

  • Basal cell carcinoma
  • Cancer
  • Neoplasm
  • Skin basal cell carcinoma

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

WHO therapeutic group
Hedgehog pathway inhibitors
FDA pharmacologic class
Hedgehog Pathway 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 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
  • MRSA46.7% AI-predicted activityAt or above the ≥40% mark this site uses to surface candidates.
  • E. coli27.4% AI-predicted activityBelow the ≥40% mark this site uses to surface candidates.
  • K. pneumoniae11.8% AI-predicted activityBelow the ≥40% mark this site uses to surface candidates.
  • M. tuberculosis65.8% 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

No evidence found

No laboratory measurement against the four pathogens in the ChEMBL records loaded here.

Open Vismodegib in ChEMBL Registered studies below

Docking

Computational · nothing measured

Dihydrofolate reductase ↗ (E. coli)

-7.7 kcal/mol

0better fit →-12

KPC-2 carbapenemase ↗ (K. pneumoniae)

-6.6 kcal/mol

0better fit →-12

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

-8.7 kcal/mol

0better fit →-12

Dihydrofolate reductase ↗ (MRSA)

-8.2 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 Vismodegib 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.

  • Vismodegib in Treating Patients With Recurrent or Refractory Medulloblastoma

    NCT00939484 · start 2009-06

    Registered record
    Registry ID
    NCT00939484
    Conditions
    Adult Medulloblastoma
    Interventions
    Pharmacological Study; Vismodegib
    Study type
    INTERVENTIONAL
    Phase
    Phase 2
    Registry status
    Completed
    Start
    2009-06
    Completion
    2015-08
    Enrolment
    31

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

    ConditionAdult Medulloblastoma
    InterventionPharmacological Study; Vismodegib
    PhasePhase 2
    Registry statusCompleted

  • GDC-0449 and Erlotinib Hydrochloride With or Without Gemcitabine Hydrochloride in Treating Patients With Metastatic Pancreatic Cancer or Solid Tumors That Cannot Be Removed by Surgery

    NCT00878163 · start 2009-03-31

    Registered record
    Registry ID
    NCT00878163
    Conditions
    Adult Solid Neoplasm; Pancreatic Acinar Cell Carcinoma; Pancreatic Ductal Adenocarcinoma; Recurrent Pancreatic Carcinoma; Stage IV Pancreatic Cancer AJCC v6 and v7
    Interventions
    Diagnostic Laboratory Biomarker Analysis; Erlotinib Hydrochloride; Gemcitabine Hydrochloride; Vismodegib
    Study type
    INTERVENTIONAL
    Phase
    Phase 1
    Registry status
    Active not recruiting
    Start
    2009-03-31
    Completion
    2027-03-06
    Enrolment
    55

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

    ConditionAdult Solid Neoplasm; Pancreatic Acinar Cell Carcinoma; Pancreatic Ductal Adenocarcinoma; Recurrent Pancreatic Carcinoma +1 more
    InterventionDiagnostic Laboratory Biomarker Analysis; Erlotinib Hydrochloride; Gemcitabine Hydrochloride; Vismodegib
    PhasePhase 1
    Registry statusActive not recruiting

  • GDC-0449 in Treating Young Patients With Medulloblastoma That is Recurrent or Did Not Respond to Previous Treatment

    NCT00822458 · start 2009-01

    Registered record
    Registry ID
    NCT00822458
    Conditions
    Recurrent Childhood Medulloblastoma
    Interventions
    vismodegib; laboratory biomarker analysis; pharmacological study
    Study type
    INTERVENTIONAL
    Phase
    Phase 1
    Registry status
    Completed
    Start
    2009-01
    Completion
    Not recorded
    Enrolment
    34

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

    ConditionRecurrent Childhood Medulloblastoma
    Interventionvismodegib; laboratory biomarker analysis; pharmacological study
    PhasePhase 1
    Registry statusCompleted

  • A Study of Vismodegib (GDC-0449, Hedgehog Pathway Inhibitor) With Concurrent Chemotherapy and Bevacizumab As First-Line Therapy for Metastatic Colorectal Cancer

    NCT00636610 · start 2008-05

    Registered record
    Registry ID
    NCT00636610
    Conditions
    Metastatic Colorectal Cancer
    Interventions
    Vismodegib 150 mg; Placebo to vismodegib; Bevacizumab; Modified FOLFOX; FOLFIRI
    Study type
    INTERVENTIONAL
    Phase
    Phase 2
    Registry status
    Completed
    Start
    2008-05
    Completion
    2010-12
    Enrolment
    199

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

    ConditionMetastatic Colorectal Cancer
    InterventionVismodegib 150 mg; Placebo to vismodegib; Bevacizumab; Modified FOLFOX +1 more
    PhasePhase 2
    Registry statusCompleted

  • GDC-0449 in Treating Patients With Locally Advanced or Metastatic Solid Tumors

    NCT00607724 · start 2007-04

    Registered record
    Registry ID
    NCT00607724
    Conditions
    Unspecified Adult Solid Tumor, Protocol Specific
    Interventions
    GDC-0449
    Study type
    INTERVENTIONAL
    Phase
    Phase 1
    Registry status
    Completed
    Start
    2007-04
    Completion
    2009-11
    Enrolment
    68

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

    ConditionUnspecified Adult Solid Tumor, Protocol Specific
    InterventionGDC-0449
    PhasePhase 1
    Registry statusCompleted