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bedaquiline fumarate
A fumarate salt prepared from equimolar amounts of bedaquiline and fumaric acid. It is used in combination therapy for the treatment of pulmonary multi-drug resistant tuberculosis by inhibition of ATP synthase, an enzyme essential for the replication of the mycobacteria.


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03. Biological Effects of Specific Chemicals: biochemical uses [CHEBI:52206] > enzyme inhibitor [CHEBI:23924] > electron-transport chain inhibitor [CHEBI:38496] > respiratory-chain inhibitor [CHEBI:38497] > mitochondrial respiratory-chain inhibitor [CHEBI:25355]
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03. Biological Effects of Specific Chemicals 
03. Biological Effects of Specific Chemicals
 biochemical uses [CHEBI:52206] (3306) 
 enzyme inhibitor [CHEBI:23924] (825) 
 electron-transport chain inhibitor [CHEBI:38496] (27) 
 respiratory-chain inhibitor [CHEBI:38497] (23) 
 mitochondrial respiratory-chain inhibitor [CHEBI:25355] (18) 
 ATP synthase inhibitor [CHEBI:20854] (3) 
 bedaquiline fumarate [CHEBI:72295] (1)
 antimicrobial agent [CHEBI:33281] (927) 
 antibacterial agent [CHEBI:33282] (317) 
 antibacterial drug [CHEBI:36047] (177) 
 antimycobacterial drug [CHEBI:64912] (46) 
 antitubercular agent [CHEBI:33231] (29) 
 bedaquiline fumarate [CHEBI:72295] (1)
08. Chemical Category 
08. Chemical Category
 polyatomic entity [CHEBI:36357] (18777) 
 heteroatomic molecular entity [CHEBI:37577] (13672) 
 salt [CHEBI:24866] (931) 
 organic salt [CHEBI:24868] (775) 
 fumarate salt [CHEBI:50921] (9) 
 bedaquiline fumarate [CHEBI:72295] (1)
ChEBI Compound Accession Identifier  [CHEBI:72295]
ChEBI Compound Description  A fumarate salt prepared from equimolar amounts of bedaquiline and fumaric acid. It is used in combination therapy for the treatment of pulmonary multi-drug resistant tuberculosis by inhibition of ATP synthase, an enzyme essential for the replication of the mycobacteria.
ChEBI Compound Identification Number  72295
ChEBI InChI Value  "InChI=1S/C32H31BrN2O2.C4H4O4/c1-35(2)19-18-32(36,28-15-9-13-22-10-7-8-14-26(22)28)30(23-11-5-4-6-12-23)27-21-24-20-25(33)16-17-29(24)34-31(27)37-3;5-3(6)1-2-4(7)8/h4-17,20-21,30,36H,18-19H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t30-,32-;/m1./s1"
ChEBI InChIKey Value  ZLVSPMRFRHMMOY-WWCCMVHESA-N
ChEBI Compound Name  bedaquiline fumarate
ChEBI SMILES Value  OC(=O)\C=C\C(O)=O.COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc12
ChEBI Substance ID  160962912
ChEBI URL  ChEBI:72295
ChemSpider ID  28528191
Ontomatica Chemical Accession Key (OnChAKey)  ZLVSPMRFRHMMOY_WWCCMVHESA_N_000_000000
PubChem Compound ID  24812732