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darunavir
An N,N-disubstituted benzenesulfonamide bearing an unsubstituted amino group at the 4-position, used for the treatment of HIV infection. A second-generation HIV protease inhibitor, darunavir was designed to form robust interactions with the protease enzyme from many strains of HIV, including those from treatment-experienced patients with multiple resistance mutations to other protease inhibitors.


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03. Biological Effects of Specific Chemicals 
03. Biological Effects of Specific Chemicals
 antimicrobial agent [CHEBI:33281] (927) 
 antiviral agent [CHEBI:22587] (216) 
 antiviral drug [CHEBI:36044] (50) 
 darunavir [CHEBI:367163] (1)
 anti-HIV agent [CHEBI:64946] (126) 
 HIV protease inhibitor [CHEBI:35660] (14) 
 darunavir [CHEBI:367163] (1)
08. Chemical Category 
08. Chemical Category
 main group molecular entity [CHEBI:33579] (25650) 
 p-block molecular entity [CHEBI:33675] (25343) 
 pnictogen molecular entity [CHEBI:33302] (10027) 
 nitrogen molecular entity [CHEBI:51143] (7930) 
 amide [CHEBI:32988] (1863) 
 primary amide [CHEBI:33256] (1586) 
 sulfonamide [CHEBI:35358] (106) 
 darunavir [CHEBI:367163] (1)
 chalcogen molecular entity [CHEBI:33304] (15225) 
 oxygen molecular entity [CHEBI:25806] (14414) 
 organooxygen compound [CHEBI:36963] (11352) 
 carbonyl compound [CHEBI:36586] (5928) 
 carboxylic ester [CHEBI:33308] (1495) 
 carbamate ester [CHEBI:23003] (103) 
 darunavir [CHEBI:367163] (1)
 oxacycle [CHEBI:38104] (2002) 
 furofuran [CHEBI:47790] (6) 
 darunavir [CHEBI:367163] (1)
 sulfur molecular entity [CHEBI:26835] (1541) 
 sulfur oxoacid derivative [CHEBI:33424] (628) 
 sulfonic acid derivative [CHEBI:33552] (393) 
 sulfonamide [CHEBI:35358] (106) 
 darunavir [CHEBI:367163] (1)
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 carbonyl compound [CHEBI:36586] (5928) 
 carboxylic ester [CHEBI:33308] (1495) 
 carbamate ester [CHEBI:23003] (103) 
 darunavir [CHEBI:367163] (1)
 oxacycle [CHEBI:38104] (2002) 
 furofuran [CHEBI:47790] (6) 
 darunavir [CHEBI:367163] (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) 
 oxacycle [CHEBI:38104] (2002) 
 furofuran [CHEBI:47790] (6) 
 darunavir [CHEBI:367163] (1)
 organic heteropolycyclic compound [CHEBI:38166] (2613) 
 organic heterobicyclic compound [CHEBI:27171] (1315) 
 furofuran [CHEBI:47790] (6) 
 darunavir [CHEBI:367163] (1)
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 carbonyl compound [CHEBI:36586] (5928) 
 carboxylic ester [CHEBI:33308] (1495) 
 carbamate ester [CHEBI:23003] (103) 
 darunavir [CHEBI:367163] (1)
 oxacycle [CHEBI:38104] (2002) 
 furofuran [CHEBI:47790] (6) 
 darunavir [CHEBI:367163] (1)
 ester [CHEBI:35701] (3370) 
 carboxylic ester [CHEBI:33308] (1495) 
 carbamate ester [CHEBI:23003] (103) 
 darunavir [CHEBI:367163] (1)
 organic molecule [CHEBI:72695] (11399) 
 organic cyclic compound [CHEBI:33832] (7633) 
 organic heterocyclic compound [CHEBI:24532] (5243) 
 oxacycle [CHEBI:38104] (2002) 
 furofuran [CHEBI:47790] (6) 
 darunavir [CHEBI:367163] (1)
 organic heteropolycyclic compound [CHEBI:38166] (2613) 
 organic heterobicyclic compound [CHEBI:27171] (1315) 
 furofuran [CHEBI:47790] (6) 
 darunavir [CHEBI:367163] (1)
 organic oxo compound [CHEBI:36587] (5932) 
 carbonyl compound [CHEBI:36586] (5928) 
 carboxylic ester [CHEBI:33308] (1495) 
 carbamate ester [CHEBI:23003] (103) 
 darunavir [CHEBI:367163] (1)
 polyatomic entity [CHEBI:36357] (18777) 
 molecule [CHEBI:25367] (11520) 
 cyclic compound [CHEBI:33595] (7817) 
 polycyclic compound [CHEBI:33635] (4078) 
 heteropolycyclic compound [CHEBI:33671] (2613) 
 organic heteropolycyclic compound [CHEBI:38166] (2613) 
 organic heterobicyclic compound [CHEBI:27171] (1315) 
 furofuran [CHEBI:47790] (6) 
 darunavir [CHEBI:367163] (1)
 bicyclic compound [CHEBI:33636] (1511) 
 heterobicyclic compound [CHEBI:33672] (1315) 
 organic heterobicyclic compound [CHEBI:27171] (1315) 
 furofuran [CHEBI:47790] (6) 
 darunavir [CHEBI:367163] (1)
 organic cyclic compound [CHEBI:33832] (7633) 
 organic heterocyclic compound [CHEBI:24532] (5243) 
 oxacycle [CHEBI:38104] (2002) 
 furofuran [CHEBI:47790] (6) 
 darunavir [CHEBI:367163] (1)
 organic heteropolycyclic compound [CHEBI:38166] (2613) 
 organic heterobicyclic compound [CHEBI:27171] (1315) 
 furofuran [CHEBI:47790] (6) 
 darunavir [CHEBI:367163] (1)
 heterocyclic compound [CHEBI:5686] (5275) 
 organic heterocyclic compound [CHEBI:24532] (5243) 
 oxacycle [CHEBI:38104] (2002) 
 furofuran [CHEBI:47790] (6) 
 darunavir [CHEBI:367163] (1)
 organic heteropolycyclic compound [CHEBI:38166] (2613) 
 organic heterobicyclic compound [CHEBI:27171] (1315) 
 furofuran [CHEBI:47790] (6) 
 darunavir [CHEBI:367163] (1)
 heteropolycyclic compound [CHEBI:33671] (2613) 
 organic heteropolycyclic compound [CHEBI:38166] (2613) 
 organic heterobicyclic compound [CHEBI:27171] (1315) 
 furofuran [CHEBI:47790] (6) 
 darunavir [CHEBI:367163] (1)
 heterobicyclic compound [CHEBI:33672] (1315) 
 organic heterobicyclic compound [CHEBI:27171] (1315) 
 furofuran [CHEBI:47790] (6) 
 darunavir [CHEBI:367163] (1)
 organic molecule [CHEBI:72695] (11399) 
 organic cyclic compound [CHEBI:33832] (7633) 
 organic heterocyclic compound [CHEBI:24532] (5243) 
 oxacycle [CHEBI:38104] (2002) 
 furofuran [CHEBI:47790] (6) 
 darunavir [CHEBI:367163] (1)
 organic heteropolycyclic compound [CHEBI:38166] (2613) 
 organic heterobicyclic compound [CHEBI:27171] (1315) 
 furofuran [CHEBI:47790] (6) 
 darunavir [CHEBI:367163] (1)
 organic oxo compound [CHEBI:36587] (5932) 
 carbonyl compound [CHEBI:36586] (5928) 
 carboxylic ester [CHEBI:33308] (1495) 
 carbamate ester [CHEBI:23003] (103) 
 darunavir [CHEBI:367163] (1)
 heteroatomic molecular entity [CHEBI:37577] (13672) 
 oxoacid derivative [CHEBI:33241] (3254) 
 sulfur oxoacid derivative [CHEBI:33424] (628) 
 sulfonic acid derivative [CHEBI:33552] (393) 
 sulfonamide [CHEBI:35358] (106) 
 darunavir [CHEBI:367163] (1)
ChEBI Compound Accession Identifier  [CHEBI:367163]
ChEBI Compound Description  An N,N-disubstituted benzenesulfonamide bearing an unsubstituted amino group at the 4-position, used for the treatment of HIV infection. A second-generation HIV protease inhibitor, darunavir was designed to form robust interactions with the protease enzyme from many strains of HIV, including those from treatment-experienced patients with multiple resistance mutations to other protease inhibitors.
ChEBI Compound Identification Number  367163
ChEBI InChI Value  InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1
ChEBI InChIKey Value  CJBJHOAVZSMMDJ-HEXNFIEUSA-N
ChEBI Compound Name  darunavir
ChEBI SMILES Value  [H][C@]12OCC[C@@]1([H])[C@H](CO2)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1
ChEBI Substance ID  87351130
ChEBI URL  ChEBI:367163
ChemSpider ID  184733
Ontomatica Chemical Accession Key (OnChAKey)  CJBJHOAVZSMMDJ_HEXNFIEUSA_N_000_000000
PubChem Compound ID  213039