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more general categories information about this item 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 [CHEBI:72292] (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 [CHEBI:72292] (1) 08. Chemical Category 08. Chemical Category main group molecular entity [CHEBI:33579] (25650) s-block molecular entity [CHEBI:33674] (7287) hydrogen molecular entity [CHEBI:33608] (6932) hydroxides [CHEBI:24651] (5641) organic hydroxy compound [CHEBI:33822] (3050) alcohol [CHEBI:30879] (1371) tertiary alcohol [CHEBI:26878] (183) bedaquiline [CHEBI:72292] (1) p-block molecular entity [CHEBI:33675] (25343) halogen molecular entity [CHEBI:24471] (1475) bromine molecular entity [CHEBI:22928] (199) organobromine compound [CHEBI:37141] (138) bedaquiline [CHEBI:72292] (1) halide [CHEBI:37578] (1402) organohalogen compound [CHEBI:36684] (976) organobromine compound [CHEBI:37141] (138) bedaquiline [CHEBI:72292] (1) pnictogen molecular entity [CHEBI:33302] (10027) nitrogen molecular entity [CHEBI:51143] (7930) organonitrogen compound [CHEBI:35352] (6705) organonitrogen heterocyclic compound [CHEBI:38101] (3202) quinolines [CHEBI:26513] (132) bedaquiline [CHEBI:72292] (1) organic amino compound [CHEBI:50047] (2472) tertiary amino compound [CHEBI:50996] (199) bedaquiline [CHEBI:72292] (1) chalcogen molecular entity [CHEBI:33304] (15225) oxygen molecular entity [CHEBI:25806] (14414) hydroxides [CHEBI:24651] (5641) organic hydroxy compound [CHEBI:33822] (3050) alcohol [CHEBI:30879] (1371) tertiary alcohol [CHEBI:26878] (183) bedaquiline [CHEBI:72292] (1) organooxygen compound [CHEBI:36963] (11352) ether [CHEBI:25698] (876) aromatic ether [CHEBI:35618] (353) bedaquiline [CHEBI:72292] (1) organochalcogen compound [CHEBI:36962] (11874) organooxygen compound [CHEBI:36963] (11352) ether [CHEBI:25698] (876) aromatic ether [CHEBI:35618] (353) bedaquiline [CHEBI:72292] (1) carbon group molecular entity [CHEBI:33582] (23847) organic molecular entity [CHEBI:50860] (23769) heteroorganic entity [CHEBI:33285] (15197) organic heterocyclic compound [CHEBI:24532] (5243) organonitrogen heterocyclic compound [CHEBI:38101] (3202) quinolines [CHEBI:26513] (132) bedaquiline [CHEBI:72292] (1) organic heteropolycyclic compound [CHEBI:38166] (2613) organic heterobicyclic compound [CHEBI:27171] (1315) quinolines [CHEBI:26513] (132) bedaquiline [CHEBI:72292] (1) organonitrogen compound [CHEBI:35352] (6705) organonitrogen heterocyclic compound [CHEBI:38101] (3202) quinolines [CHEBI:26513] (132) bedaquiline [CHEBI:72292] (1) organic amino compound [CHEBI:50047] (2472) tertiary amino compound [CHEBI:50996] (199) bedaquiline [CHEBI:72292] (1) organohalogen compound [CHEBI:36684] (976) organobromine compound [CHEBI:37141] (138) bedaquiline [CHEBI:72292] (1) organochalcogen compound [CHEBI:36962] (11874) organooxygen compound [CHEBI:36963] (11352) ether [CHEBI:25698] (876) aromatic ether [CHEBI:35618] (353) bedaquiline [CHEBI:72292] (1) organic hydroxy compound [CHEBI:33822] (3050) alcohol [CHEBI:30879] (1371) tertiary alcohol [CHEBI:26878] (183) bedaquiline [CHEBI:72292] (1) organic amino compound [CHEBI:50047] (2472) tertiary amino compound [CHEBI:50996] (199) bedaquiline [CHEBI:72292] (1) organic molecule [CHEBI:72695] (11399) organic cyclic compound [CHEBI:33832] (7633) organic heterocyclic compound [CHEBI:24532] (5243) organonitrogen heterocyclic compound [CHEBI:38101] (3202) quinolines [CHEBI:26513] (132) bedaquiline [CHEBI:72292] (1) organic heteropolycyclic compound [CHEBI:38166] (2613) organic heterobicyclic compound [CHEBI:27171] (1315) quinolines [CHEBI:26513] (132) bedaquiline [CHEBI:72292] (1) carbocyclic compound [CHEBI:33598] (1130) benzenoid aromatic compound [CHEBI:33836] (730) naphthalenes [CHEBI:25477] (89) bedaquiline [CHEBI:72292] (1) carbopolycyclic compound [CHEBI:35294] (493) carbobicyclic compound [CHEBI:36785] (199) naphthalenes [CHEBI:25477] (89) bedaquiline [CHEBI:72292] (1) organic aromatic compound [CHEBI:33659] (3593) benzenoid aromatic compound [CHEBI:33836] (730) naphthalenes [CHEBI:25477] (89) bedaquiline [CHEBI:72292] (1) aromatic ether [CHEBI:35618] (353) bedaquiline [CHEBI:72292] (1) polyatomic entity [CHEBI:36357] (18777) molecule [CHEBI:25367] (11520) cyclic compound [CHEBI:33595] (7817) homocyclic compound [CHEBI:33597] (1134) carbocyclic compound [CHEBI:33598] (1130) benzenoid aromatic compound [CHEBI:33836] (730) naphthalenes [CHEBI:25477] (89) bedaquiline [CHEBI:72292] (1) carbopolycyclic compound [CHEBI:35294] (493) carbobicyclic compound [CHEBI:36785] (199) naphthalenes [CHEBI:25477] (89) bedaquiline [CHEBI:72292] (1) homopolycyclic compound [CHEBI:35295] (493) carbopolycyclic compound [CHEBI:35294] (493) carbobicyclic compound [CHEBI:36785] (199) naphthalenes [CHEBI:25477] (89) bedaquiline [CHEBI:72292] (1) polycyclic compound [CHEBI:33635] (4078) heteropolycyclic compound [CHEBI:33671] (2613) organic heteropolycyclic compound [CHEBI:38166] (2613) organic heterobicyclic compound [CHEBI:27171] (1315) quinolines [CHEBI:26513] (132) bedaquiline [CHEBI:72292] (1) homopolycyclic compound [CHEBI:35295] (493) carbopolycyclic compound [CHEBI:35294] (493) carbobicyclic compound [CHEBI:36785] (199) naphthalenes [CHEBI:25477] (89) bedaquiline [CHEBI:72292] (1) bicyclic compound [CHEBI:33636] (1511) heterobicyclic compound [CHEBI:33672] (1315) organic heterobicyclic compound [CHEBI:27171] (1315) quinolines [CHEBI:26513] (132) bedaquiline [CHEBI:72292] (1) carbobicyclic compound [CHEBI:36785] (199) naphthalenes [CHEBI:25477] (89) bedaquiline [CHEBI:72292] (1) aromatic compound [CHEBI:33655] (3799) quinolines [CHEBI:26513] (132) bedaquiline [CHEBI:72292] (1) organic aromatic compound [CHEBI:33659] (3593) benzenoid aromatic compound [CHEBI:33836] (730) naphthalenes [CHEBI:25477] (89) bedaquiline [CHEBI:72292] (1) aromatic ether [CHEBI:35618] (353) bedaquiline [CHEBI:72292] (1) organic cyclic compound [CHEBI:33832] (7633) organic heterocyclic compound [CHEBI:24532] (5243) organonitrogen heterocyclic compound [CHEBI:38101] (3202) quinolines [CHEBI:26513] (132) bedaquiline [CHEBI:72292] (1) organic heteropolycyclic compound [CHEBI:38166] (2613) organic heterobicyclic compound [CHEBI:27171] (1315) quinolines [CHEBI:26513] (132) bedaquiline [CHEBI:72292] (1) carbocyclic compound [CHEBI:33598] (1130) benzenoid aromatic compound [CHEBI:33836] (730) naphthalenes [CHEBI:25477] (89) bedaquiline [CHEBI:72292] (1) carbopolycyclic compound [CHEBI:35294] (493) carbobicyclic compound [CHEBI:36785] (199) naphthalenes [CHEBI:25477] (89) bedaquiline [CHEBI:72292] (1) organic aromatic compound [CHEBI:33659] (3593) benzenoid aromatic compound [CHEBI:33836] (730) naphthalenes [CHEBI:25477] (89) bedaquiline [CHEBI:72292] (1) aromatic ether [CHEBI:35618] (353) bedaquiline [CHEBI:72292] (1) heterocyclic compound [CHEBI:5686] (5275) organic heterocyclic compound [CHEBI:24532] (5243) organonitrogen heterocyclic compound [CHEBI:38101] (3202) quinolines [CHEBI:26513] (132) bedaquiline [CHEBI:72292] (1) organic heteropolycyclic compound [CHEBI:38166] (2613) organic heterobicyclic compound [CHEBI:27171] (1315) quinolines [CHEBI:26513] (132) bedaquiline [CHEBI:72292] (1) heteropolycyclic compound [CHEBI:33671] (2613) organic heteropolycyclic compound [CHEBI:38166] (2613) organic heterobicyclic compound [CHEBI:27171] (1315) quinolines [CHEBI:26513] (132) bedaquiline [CHEBI:72292] (1) heterobicyclic compound [CHEBI:33672] (1315) organic heterobicyclic compound [CHEBI:27171] (1315) quinolines [CHEBI:26513] (132) bedaquiline [CHEBI:72292] (1) organic molecule [CHEBI:72695] (11399) organic cyclic compound [CHEBI:33832] (7633) organic heterocyclic compound [CHEBI:24532] (5243) organonitrogen heterocyclic compound [CHEBI:38101] (3202) quinolines [CHEBI:26513] (132) bedaquiline [CHEBI:72292] (1) organic heteropolycyclic compound [CHEBI:38166] (2613) organic heterobicyclic compound [CHEBI:27171] (1315) quinolines [CHEBI:26513] (132) bedaquiline [CHEBI:72292] (1) carbocyclic compound [CHEBI:33598] (1130) benzenoid aromatic compound [CHEBI:33836] (730) naphthalenes [CHEBI:25477] (89) bedaquiline [CHEBI:72292] (1) carbopolycyclic compound [CHEBI:35294] (493) carbobicyclic compound [CHEBI:36785] (199) naphthalenes [CHEBI:25477] (89) bedaquiline [CHEBI:72292] (1) organic aromatic compound [CHEBI:33659] (3593) benzenoid aromatic compound [CHEBI:33836] (730) naphthalenes [CHEBI:25477] (89) bedaquiline [CHEBI:72292] (1) aromatic ether [CHEBI:35618] (353) bedaquiline [CHEBI:72292] (1) heteroatomic molecular entity [CHEBI:37577] (13672) hydroxides [CHEBI:24651] (5641) organic hydroxy compound [CHEBI:33822] (3050) alcohol [CHEBI:30879] (1371) tertiary alcohol [CHEBI:26878] (183) bedaquiline [CHEBI:72292] (1) halide [CHEBI:37578] (1402) organohalogen compound [CHEBI:36684] (976) organobromine compound [CHEBI:37141] (138) bedaquiline [CHEBI:72292] (1) ChEBI Compound Accession Identifier: [CHEBI:72292] ChEBI Compound Description: 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. ChEBI Compound Identification Number: 72292 ChEBI InChI Value: InChI=1S/C32H31BrN2O2/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/h4-17,20-21,30,36H,18-19H2,1-3H3/t30-,32-/m1/s1 ChEBI InChIKey Value: QUIJNHUBAXPXFS-XLJNKUFUSA-N ChEBI Compound Name: bedaquiline ChEBI SMILES Value: COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc12 ChEBI Substance ID: 160962911 ChEBI URL: ChEBI:72292 ChemSpider ID: 4534966 Ontomatica Chemical Accession Key (OnChAKey): QUIJNHUBAXPXFS_XLJNKUFUSA_N_000_000000 PubChem Compound ID: 5388906