Bedaquiline
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Also known as BedaquilinaR-207910R207910TMC-207TMC207MMV689758C0088592BEDAQUILINE FUMARATEBedaquilin
Summary
Bedaquiline (CHEMBL376488) is an approved small-molecule antitubercular agent (ATC J04AK05); indicated across 8 conditions including tuberculosis and pulmonary tuberculosis.
At a glance
- Status: Approved (max clinical phase 4)
- Modality: Small molecule
- ATC class: J04AK05
- Indications: 8 conditions
- Clinical trials: 65
- Chemistry: 555.5 Da · C32H31BrN2O2
Identifiers
Drug identity and classification
| Field | Value |
|---|---|
| ChEMBL ID | CHEMBL376488 |
| Name | Bedaquiline |
| Type | Small molecule |
| Max phase | 4 |
| FDA approved | yes |
| PubChem CID | 5388906 |
| ChEBI | CHEBI:72292 |
| ATC | J04AK05 |
| Molecular formula | C32H31BrN2O2 |
| Molecular weight | 555.5 |
| InChIKey | QUIJNHUBAXPXFS-XLJNKUFUSA-N |
SMILES: CN(C)CC[C@@](C1=CC=CC2=CC=CC=C21)([C@H](C3=CC=CC=C3)C4=C(N=C5C=CC(=CC5=C4)Br)OC)O
IUPAC name: (1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol
ChEBI definition: A quinoline-based antimycobacterial drug used (as its fumarate salt) for the treatment of pulmonary multi-drug resistant tuberculosis by inhibition of ATP synthase, an enzyme essential for the replication of the mycobacteria.
Pharmacological roles (ChEBI): antitubercular agent, ATP synthase inhibitor.
Also known as: Bedaquilina, Bedaquiline, R-207910, R207910, TMC-207, TMC207, BEDAQUILINE, bedaquiline, MMV689758, C0088592, BEDAQUILINE FUMARATE, Bedaquilin
Parent form; salt/anhydrous children: CHEMBL2105700, CHEMBL4524943
Patent coverage: 665 distinct patent families (1,300 SureChEMBL compound mentions), from 4 matched compound structure(s). One matched structure accounts for 1,189 (91%) of the total. Mentions count patents naming the compound (not distinct inventions), so promiscuous / reference molecules inflate the mention figure — families are the dedup metric.
Targets
Targets
Broader ChEMBL bioactivity targets: 7 (assay-derived). Sample: 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 2A, Sodium-dependent dopamine transporter, Voltage-gated inwardly rectifying potassium channel KCNH2, ATP synthase subunit c, Nuclear receptor subfamily 1 group I member 2, Replicase polyprotein 1ab.
Bioactivity
ChEMBL activities: 13 potent at pChembl ≥ 5 of 17 total. Top 30 by potency (10 = 0.1 nM, 6 = 1 µM):
| Target | pChembl | Type | Value | Unit | Activity ID |
|---|---|---|---|---|---|
| KCNH2 | 6.43 | IC50 | 370 | nM | CHEMBL_ACT_18465638 |
| KCNH2 | 6.43 | IC50 | 370 | nM | CHEMBL_ACT_18572505 |
| P00845 | 6.3 | Kd | 500 | nM | CHEMBL_ACT_3419606 |
| KCNH2 | 5.99 | IC50 | 1036 | nM | CHEMBL_ACT_26048468 |
| KCNH2 | 5.8 | IC50 | 1600 | nM | CHEMBL_ACT_18327289 |
| KCNH2 | 5.8 | IC50 | 1600 | nM | CHEMBL_ACT_18572444 |
| KCNH2 | 5.8 | IC50 | 1600 | nM | CHEMBL_ACT_19486887 |
| KCNH2 | 5.8 | IC50 | 1600 | nM | CHEMBL_ACT_19487404 |
| KCNH2 | 5.8 | IC50 | 1600 | nM | CHEMBL_ACT_20630775 |
| KCNH2 | 5.8 | IC50 | 1600 | nM | CHEMBL_ACT_25113076 |
| P0DTD1 | 5.36 | IC50 | 4360 | nM | CHEMBL_ACT_19964310 |
| KCNH2 | 5.31 | AC50 | 4923 | nM | CHEMBL_ACT_25118324 |
| HTR2A | 5.09 | AC50 | 8078 | nM | CHEMBL_ACT_25173724 |
Target pathways
No target-pathway data for this drug (no mapped target genes).
Indications & clinical
Indications
8 indications (1 at ChEMBL trial phase 4). Phase below is the highest clinical-trial phase recorded for this drug against each disease — not the molecule’s overall approval status (that is in the Summary).
| Indication | Trial phase | MONDO | EFO |
|---|---|---|---|
| tuberculosis | 4 | MONDO:0018076 | MONDO:0018076 |
| pulmonary tuberculosis | 3 | MONDO:0006052 | EFO:1000049 |
| leprosy | 3 | MONDO:0005124 | EFO:0001054 |
| multidrug-resistant tuberculosis | 3 | MONDO:0005861 | EFO:0007381 |
| Mycobacterium avium complex disease | 2 | MONDO:0005866 | EFO:0007386 |
| lung disorder | 2 | MONDO:0005275 | EFO:0003818 |
| liver disorder | 1 | MONDO:0005154 | EFO:0001421 |
1 further indication record had no mapped disease name (EFO/MeSH-only) or were duplicates, and are omitted.
Clinical trials
Total trials: 65.
Phase distribution
| Phase | Trials |
|---|---|
| PHASE2 | 25 |
| PHASE3 | 12 |
| PHASE2/PHASE3 | 12 |
| PHASE1 | 7 |
| Not specified | 6 |
| PHASE4 | 1 |
| PHASE1/PHASE2 | 1 |
| EARLY_PHASE1 | 1 |
Top trials by phase / activity
| NCT | Phase | Status | Title |
|---|---|---|---|
| NCT05306223 | PHASE4 | UNKNOWN | A Study of an Oral Short-course Regimen Including Bedaquiline for the Treatment of Participants With Multidrug-resistant Tuberculosis in China |
| NCT04310930 | PHASE2/PHASE3 | RECRUITING | Finding the Optimal Regimen for Mycobacterium Abscessus Treatment |
| NCT05597280 | PHASE3 | RECRUITING | Bedaquiline Enhanced Post ExpOsure Prophylaxis for Leprosy |
| NCT05686356 | PHASE2/PHASE3 | ACTIVE_NOT_RECRUITING | A Pan-TB Regimen Targeting Host and Microbe |
| NCT05766267 | PHASE2/PHASE3 | ACTIVE_NOT_RECRUITING | Short-course Regimens for the Treatment of Pulmonary Tuberculosis |
| NCT05824871 | PHASE3 | RECRUITING | A Phase III Study of Oral Sudapyridine (WX-081) Tablets in Rifampicin-Resistant Pulmonary Tuberculosis Patients |
| NCT06081361 | PHASE3 | ACTIVE_NOT_RECRUITING | Innovating Shorter, All- Oral, Precised, Individualized Treatment Regimen for Rifampicin Resistant Tuberculosis：Contezolid, Delamanid and Bedaquiline Cohort |
| NCT06441006 | PHASE2/PHASE3 | RECRUITING | Program for Rifampicin-Resistant Disease With Stratified Medicine for Tuberculosis |
| NCT06568484 | PHASE2/PHASE3 | RECRUITING | Bedaquiline Roll-out Evidence in Contacts and People Living With HIV to Prevent TB |
| NCT06649721 | PHASE3 | ACTIVE_NOT_RECRUITING | Innovating Shorter, All- Oral, Precised Treatment Regimen for Rifampicin Resistant Tuberculosis：BDLL Chinese Cohort |
| NCT07486024 | PHASE3 | NOT_YET_RECRUITING | Feasibility of the Application of a New Six-month Treatment for Multidrug-resistant Tuberculosis (MDR-TB) Patients in France (FAST-MDR) |
| NCT02333799 | PHASE3 | COMPLETED | A Phase 3 Trial Assessing Safety and Efficacy of B-Pa-L in Participants With DR-TB |
| NCT02409290 | PHASE3 | COMPLETED | The Evaluation of a Standard Treatment Regimen of Anti-tuberculosis Drugs for Patients With MDR-TB |
| NCT02454205 | PHASE2/PHASE3 | COMPLETED | An Open-label RCT to Evaluate a New Treatment Regimen for Patients With Multi-drug Resistant Tuberculosis |
| NCT02589782 | PHASE2/PHASE3 | COMPLETED | Pragmatic Clinical Trial for a More Effective Concise and Less Toxic MDR-TB Treatment Regimen(s) |
| NCT02754765 | PHASE3 | COMPLETED | Evaluating Newly Approved Drugs for Multidrug-resistant TB |
| NCT03086486 | PHASE3 | COMPLETED | Various Doses and Durations of Linezolid Plus Bedaquiline & Pretomanid in Participants With Drug Resistant Tuberculosis |
| NCT03338621 | PHASE2/PHASE3 | COMPLETED | Trial to Evaluate the Efficacy, Safety and Tolerability of BPaMZ in Drug-Sensitive (DS-TB) Adult Patients and Drug-Resistant (DR-TB) Adult Patients |
| NCT03474198 | PHASE2/PHASE3 | COMPLETED | Two-month Regimens Using Novel Combinations to Augment Treatment Effectiveness for Drug-sensitive Tuberculosis |
| NCT03896685 | PHASE3 | COMPLETED | Evaluating Newly Approved Drugs in Combination Regimens for Multidrug-Resistant TB With Fluoroquinolone Resistance (endTB-Q) |
| NCT04062201 | PHASE3 | COMPLETED | Building Evidence for Advancing New Treatment for Rifampicin Resistant Tuberculosis (RR-TB) Comparing a Short Course of Treatment (Containing Bedaquiline, Delamanid and Linezolid) With the Current South African Standard of Care |
| NCT04081077 | PHASE2/PHASE3 | UNKNOWN | PRACTECAL-PKPD Sub Study |
| NCT04207112 | PHASE2/PHASE3 | COMPLETED | Economic Evaluation of New MDR TB Regimens |
| NCT04630145 | PHASE2/PHASE3 | COMPLETED | A Study of Bedaquiline Administered as Part of a Treatment Regimen With Clarithromycin and Ethambutol in Adult Patients With Treatment-refractory Mycobacterium Avium Complex-lung Disease (MAC-LD) |
| NCT05040126 | PHASE3 | UNKNOWN | Modified BPaL Regimen for Managing Pre-XDR TB and MDR (TI/NR) TB in India |
| NCT02354014 | PHASE2 | RECRUITING | Pharmacokinetic Study to Evaluate Anti-mycobacterial Activity of TMC207 in Combination With Background Regimen (BR) of Multidrug Resistant Tuberculosis (MDR-TB) Medications for Treatment of Children/Adolescents With Pulmonary MDR-TB |
| NCT03828201 | PHASE2 | ACTIVE_NOT_RECRUITING | Efficacy and Tolerability of Bedaquiline, Delamanid, Levofloxacin, Linezolid, and Clofazimine to Treat MDR-TB |
| NCT05556746 | PHASE2 | ACTIVE_NOT_RECRUITING | Ultra-Short Course Bedaquiline, Clofazimine, Pyrazinamide and Delamanid Versus Standard Therapy for Drug-Susceptible TB |
| NCT06058299 | PHASE2 | ACTIVE_NOT_RECRUITING | Phase 2 Trial Assessing TBAJ876 or Bedaquiline, with Pretomanid and Linezolid in Adults with Drug-sensitive Pulmonary Tuberculosis |
| NCT06192160 | PHASE2 | RECRUITING | Trial of Novel Regimens for the Treatment of Pulmonary Tuberculosis |
| NCT07485010 | PHASE2 | NOT_YET_RECRUITING | Testing a Novel Combination Treatment (Arm D) Versus Standard of Care for Intensive Phase Treatment for Mycobacterium Abscessus Pulmonary Disease in People With or Without Cystic Fibrosis in the Finding the Optimal Regimen for Mycobacterium Abscessus Treatment (FORMaT) Adaptive Platform Trial |
| NCT07517445 | PHASE2 | RECRUITING | Bactericidal Activity and Safety of Nicotinamide in Combination With Bedaquiline, Pretomanid, and Linezolid in Drug-susceptible Pulmonary Tuberculosis |
| NCT00449644 | PHASE2 | COMPLETED | TMC207-TiDP13-C208: Anti-bacterial Activity, Safety, and Tolerability of TMC207 in Participants With Multi-drug Resistant Mycobacterium Tuberculosis (MDR-TB). |
| NCT00523926 | PHASE2 | COMPLETED | TMC207-C202: Study to Evaluate Bactericidal Activity of Multiple Oral Doses of TMC207 in Subjects With Sputum-Smear Positive Tuberculosis |
| NCT00910871 | PHASE2 | COMPLETED | To Evaluate the Safety, Tolerability, and Efficacy of TMC207 as Part of an Individualized Multi-drug Resistant Tuberculosis (MDR-TB) Treatment Regimen in Participants With Sputum Smear-positive Pulmonary MDR-TB. |
| NCT01215110 | PHASE2 | COMPLETED | Evaluation of Early Bactericidal Activity in Pulmonary Tuberculosis (TMC207-CL001) |
| NCT01215851 | PHASE2 | COMPLETED | Evaluation of Early Bactericidal Activity in Pulmonary Tuberculosis With(J-M-Pa-Z) (NC-001) |
| NCT02193776 | PHASE2 | COMPLETED | A Phase 2 to Evaluate the Efficacy, Safety and Tolerability of Combinations of Bedaquiline, Moxifloxacin, PA-824 and Pyrazinamide in Adult Subjects With Drug-Sensitive or Multi Drug-Resistant Pulmonary Tuberculosis. |
| NCT02365623 | PHASE2 | COMPLETED | An Exploratory Study of TMC207 in Japanese Participants With Pulmonary Multi-Drug Resistant Tuberculosis (MDR-TB) |
| NCT02583048 | PHASE2 | COMPLETED | Evaluating the Safety, Tolerability, and Pharmacokinetics of Bedaquiline and Delamanid, Alone and in Combination, For Drug-Resistant Pulmonary Tuberculosis |
Clinical evidence (CIViC)
No CIViC predictive evidence (expected for non-precision-medicine drugs).
Pharmacology
Pharmacogenomics
No CPIC/DPWG dosing guideline or drug-level clinical/variant annotations in PharmGKB for this molecule.
Related molecules
Related molecules
No competitor molecules sharing a primary target (ChEMBL phase ≥2 or PubChem drug-class).