Bedaquiline Fumarate
FDA-approved product (tablet, oral), marketed as Sirturo.
- Registered studies
- 1
- Lab records
- 42
- Pathogens at ≥40%
- 2 of 4
Chemical structure
Existing / approved use
Documented · FDA, WHO, ChEMBLApproved for
- Multidrug-resistant tuberculosis
- Tuberculosis
Indications ChEMBL records as approved, from FDA and DailyMed labels. Label ↗
- WHO therapeutic group
- Other drugs for treatment of tuberculosis
- Anti-infective classification
- Classified as an existing antimicrobial.WHO ATC J04AK05
Repurposing investigation
Bedaquiline Fumarate is already an antimicrobial, so it is not counted among the repurposing candidates. Its AI-predicted activity is shown below for reference.
AI-predicted activity
AI prediction · nothing measured- MRSA44.9% AI-predicted activityAt or above the ≥40% mark this site uses to surface candidates.
- E. coli38.7% AI-predicted activityBelow the ≥40% mark this site uses to surface candidates.
- K. pneumoniae21.4% AI-predicted activityBelow the ≥40% mark this site uses to surface candidates.
- M. tuberculosis94.4% 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.
A model’s estimate of laboratory activity against each pathogen species. It is not clinical effectiveness.
Evidence
Clinical and experimental
Documented evidenceClinical
1registered study names this medicine, for any condition. See them below.
Experimental
- M. tuberculosis: measured active in 42 of 42 lab records
Show the 42 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 measuredDihydrofolate 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 measuredOther repurposing candidates: approved medicines besides Bedaquiline Fumarate 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.
- FurazolidoneExisting use: Other antiinfectives and antiseptics91.4% AI-predicted activityagainst M. tuberculosisLab records exist49 registered studies
- TriflupromazineExisting use: Psychosis90.6% AI-predicted activityagainst M. tuberculosisNo documented evidence found
- ValdecoxibExisting use: Dysmenorrhea, Osteoarthritis, Rheumatic disease and 1 more88.6% AI-predicted activityagainst M. tuberculosisLab records exist31 registered studies
- CelecoxibExisting use: Ankylosing spondylitis, Cancer, Colorectal neoplasm and 15 more87.6% AI-predicted activityagainst M. tuberculosisLab records exist50+ registered studies
- Dorzolamide HydrochlorideExisting use: Glaucoma, Ocular hypertension, Open-angle glaucoma86.8% AI-predicted activityagainst M. tuberculosisLab records exist50+ registered studies
- MethazolamideExisting use: Glaucoma, Open-angle glaucoma85.6% AI-predicted activityagainst M. tuberculosisLab records exist11 registered studies
- AcetazolamideExisting use: Altitude sickness, Angle-closure glaucoma, Congestive heart failure and 5 more85.2% AI-predicted activityagainst M. tuberculosisLab records exist50+ registered studies
- Trifluoperazine HydrochlorideExisting use: Anxiety disorder, Mental or behavioural disorder, Psychosis and 1 more84.6% AI-predicted activityagainst M. tuberculosis1 registered study
- TriclosanExisting use: Phenol and derivatives, Medicated dressings with antiinfectives84.2% AI-predicted activityagainst M. tuberculosisLab records exist50+ registered studies
- NitrofurazoneExisting use: Eye infection, Leishmaniasis, Trypanosomiasis84.0% AI-predicted activityagainst M. tuberculosis8 registered studies
- BrinzolamideExisting use: Glaucoma, Ocular hypertension, Open-angle glaucoma83.8% AI-predicted activityagainst M. tuberculosisLab records exist50+ registered studies
- ZonisamideExisting use: Epilepsy, Focal-onset seizure, Partial epilepsy and 1 more82.8% AI-predicted activityagainst M. tuberculosisLab records exist50+ registered studies
Registered studies
A registration describes a study; it does not establish a positive result.
Pharmacokinetic Study of Antiretroviral Drugs and Related Drugs During and After Pregnancy
NCT00042289 · start 2003-06-09
Registered record
- Registry ID
- NCT00042289
- Conditions
- HIV Infections
- Interventions
- atazanavir/cobicistat; darunavir/ritonavir dosage #1; darunavir/ritonavir dosage #2; darunavir/ritonavir dosage #3; elvitegravir/cobicistat; dolutegravir; tenofovir alafenamide fumarate (TAF); TAF w/cobicistat; TAF w/cobicistat or ritonavir; efavirenz; darunavir/cobicistat; lopinavir/ritonavir dosage #1; atazanavir/ritonavir/tenofovir dosage #1; rifampicin; ethambutol; isoniazid; pyrazinamide; kanamycin; amikacin; capreomycin; moxifloxacin; levoflaxacin; ofloxacin; ethionamide/prothionamide; terizidone/cycloserine; para-aminosalicylic acid (PAS); high dose INH; bedaquiline; clofazamine; delamanid; linezolid; pretomanid; ethinyl estradiol; etonogestrel implant; nevirapine; amprenavir; abacavir; lopinavir/ritonavir dosage #2; indinavir/ritonavir dosage #1; fosamprenavir/ritonavir; lopinavir/ritonavir dosage #3; atazanavir/ritonavir dosage #1; didanosine delayed release (Videx® EC); emtricitabine; tenofovir; nelfinavir dosage #1; tipranavir/ritonavir; lopinavir/ritonavir dosage #4; ralteg
- Study type
- OBSERVATIONAL
- Phase
- Not recorded
- Registry status
- Completed
- Start
- 2003-06-09
- Completion
- 2020-09-30
- Enrolment
- 1,578
As stored from ClinicalTrials.gov. Registration describes a study; it does not mean the study worked.
ConditionHIV InfectionsInterventionatazanavir/cobicistat; darunavir/ritonavir dosage #1; darunavir/ritonavir dosage #2; darunavir/ritonavir dosage #3 +45 morePhaseNot recordedRegistry statusCompleted