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AMR Drug RepurposingSmart Screeningresearch prototype

Vemurafenib

FDA-approved product (tablet, oral), marketed as Zelboraf.

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

Chemical structure

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

Existing / approved use

Documented · FDA, WHO, ChEMBL

Approved for

  • Cancer
  • Cutaneous melanoma
  • Melanoma
  • Metastatic melanoma
  • Neoplasm

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

WHO therapeutic group
B-raf serine-threonine kinase (braf) inhibitors
FDA pharmacologic class
Kinase 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 M. tuberculosis, MRSA and E. coli. It was surfaced computationally for further investigation; it is not an established treatment for these infections.

AI-predicted activity

AI prediction · nothing measured
  • MRSA65.8% AI-predicted activityAt or above the ≥40% mark this site uses to surface candidates.
  • E. coli41.4% AI-predicted activityAt or above the ≥40% mark this site uses to surface candidates.
  • K. pneumoniae31.4% AI-predicted activityBelow the ≥40% mark this site uses to surface candidates.
  • M. tuberculosis59.5% 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 Vemurafenib in ChEMBL Registered studies below

Docking

Computational · nothing measured

Dihydrofolate reductase ↗ (E. coli)

-8.8 kcal/mol

0better fit →-12

KPC-2 carbapenemase ↗ (K. pneumoniae)

-9.0 kcal/mol

0better fit →-12

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

-9.8 kcal/mol

0better fit →-12

Dihydrofolate reductase ↗ (MRSA)

-9.4 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 Vemurafenib 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.

  • Ph I Ipilimumab Vemurafenib Combo in Patients With v-Raf Murine Sarcoma Viral Oncogene Homolog B1 (BRAF)

    NCT01400451 · start 2011-11

    Registered record
    Registry ID
    NCT01400451
    Conditions
    Melanoma
    Interventions
    Ipilimumab (BMS-734016); Vemurafenib
    Study type
    INTERVENTIONAL
    Phase
    Phase 1
    Registry status
    Terminated
    Start
    2011-11
    Completion
    2013-12
    Enrolment
    18

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

    ConditionMelanoma
    InterventionIpilimumab (BMS-734016); Vemurafenib
    PhasePhase 1
    Registry statusTerminated

  • Vemurafenib (R05185426) in Poor Performance Status Patients With Unresectable Locally Advanced or Metastatic Melanoma Harboring a V600E/K Mutation

    NCT01474551 · start 2011-11

    Registered record
    Registry ID
    NCT01474551
    Conditions
    Melanoma
    Interventions
    vemurafenib
    Study type
    INTERVENTIONAL
    Phase
    Phase 2
    Registry status
    Terminated
    Start
    2011-11
    Completion
    2013-03
    Enrolment
    2

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

    ConditionMelanoma
    Interventionvemurafenib
    PhasePhase 2
    Registry statusTerminated

  • A Study of Vemurafenib in Metastatic Melanoma Participants With Brain Metastases

    NCT01378975 · start 2011-07

    Registered record
    Registry ID
    NCT01378975
    Conditions
    Malignant Melanoma
    Interventions
    Vemurafenib
    Study type
    INTERVENTIONAL
    Phase
    Phase 2
    Registry status
    Completed
    Start
    2011-07
    Completion
    2015-07
    Enrolment
    146

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

    ConditionMalignant Melanoma
    InterventionVemurafenib
    PhasePhase 2
    Registry statusCompleted

  • A Study of Vemurafenib (RO5185426) in Participants With Metastatic or Unresectable Papillary Thyroid Cancer Positive for the BRAF V600 Mutation

    NCT01286753 · start 2011-06

    Registered record
    Registry ID
    NCT01286753
    Conditions
    Neoplasms
    Interventions
    Vemurafenib
    Study type
    INTERVENTIONAL
    Phase
    Phase 2
    Registry status
    Completed
    Start
    2011-06
    Completion
    2015-05
    Enrolment
    51

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

    ConditionNeoplasms
    InterventionVemurafenib
    PhasePhase 2
    Registry statusCompleted

  • A Study of Vemurafenib (RO5185426) in Comparison With Dacarbazine in Previously Untreated Patients With Metastatic Melanoma (BRIM 3)

    NCT01006980 · start 2010-01

    Registered record
    Registry ID
    NCT01006980
    Conditions
    Malignant Melanoma
    Interventions
    Vemurafenib; Dacarbazine
    Study type
    INTERVENTIONAL
    Phase
    Phase 3
    Registry status
    Completed
    Start
    2010-01
    Completion
    2015-07
    Enrolment
    675

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

    ConditionMalignant Melanoma
    InterventionVemurafenib; Dacarbazine
    PhasePhase 3
    Registry statusCompleted