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neratinib
A quinoline compound having a cyano group at the 3-position, a 3-chloro-4-(2-pyridylmethoxy)anilino group at the 4-position, a 4-dimethylamino-trans-but-2-enamido group at the 6-position, and an ethoxy group at the 7-position.


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03. Biological Effects of Specific Chemicals: biochemical uses [CHEBI:52206] > enzyme inhibitor [CHEBI:23924] > protein kinase inhibitor [CHEBI:37699]
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05. Industrial Uses: pharmaceutical [CHEBI:52217]
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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) 
 protein kinase inhibitor [CHEBI:37699] (69) 
 tyrosine kinase inhibitor [CHEBI:38637] (38) 
 neratinib [CHEBI:61397] (1)
05. Industrial Uses 
05. Industrial Uses
 pharmaceutical [CHEBI:52217] (1978) 
 drug [CHEBI:23888] (1930) 
 antineoplastic agent [CHEBI:35610] (760) 
 neratinib [CHEBI:61397] (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) 
 organonitrogen compound [CHEBI:35352] (6705) 
 cyanides [CHEBI:23424] (120) 
 nitrile [CHEBI:18379] (117) 
 neratinib [CHEBI:61397] (1)
 organonitrogen heterocyclic compound [CHEBI:38101] (3202) 
 quinolines [CHEBI:26513] (132) 
 neratinib [CHEBI:61397] (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) 
 neratinib [CHEBI:61397] (1)
 organic heteropolycyclic compound [CHEBI:38166] (2613) 
 organic heterobicyclic compound [CHEBI:27171] (1315) 
 quinolines [CHEBI:26513] (132) 
 neratinib [CHEBI:61397] (1)
 organonitrogen compound [CHEBI:35352] (6705) 
 cyanides [CHEBI:23424] (120) 
 nitrile [CHEBI:18379] (117) 
 neratinib [CHEBI:61397] (1)
 organonitrogen heterocyclic compound [CHEBI:38101] (3202) 
 quinolines [CHEBI:26513] (132) 
 neratinib [CHEBI:61397] (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) 
 neratinib [CHEBI:61397] (1)
 organic heteropolycyclic compound [CHEBI:38166] (2613) 
 organic heterobicyclic compound [CHEBI:27171] (1315) 
 quinolines [CHEBI:26513] (132) 
 neratinib [CHEBI:61397] (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) 
 quinolines [CHEBI:26513] (132) 
 neratinib [CHEBI:61397] (1)
 bicyclic compound [CHEBI:33636] (1511) 
 heterobicyclic compound [CHEBI:33672] (1315) 
 organic heterobicyclic compound [CHEBI:27171] (1315) 
 quinolines [CHEBI:26513] (132) 
 neratinib [CHEBI:61397] (1)
 aromatic compound [CHEBI:33655] (3799) 
 quinolines [CHEBI:26513] (132) 
 neratinib [CHEBI:61397] (1)
 organic cyclic compound [CHEBI:33832] (7633) 
 organic heterocyclic compound [CHEBI:24532] (5243) 
 organonitrogen heterocyclic compound [CHEBI:38101] (3202) 
 quinolines [CHEBI:26513] (132) 
 neratinib [CHEBI:61397] (1)
 organic heteropolycyclic compound [CHEBI:38166] (2613) 
 organic heterobicyclic compound [CHEBI:27171] (1315) 
 quinolines [CHEBI:26513] (132) 
 neratinib [CHEBI:61397] (1)
 heterocyclic compound [CHEBI:5686] (5275) 
 organic heterocyclic compound [CHEBI:24532] (5243) 
 organonitrogen heterocyclic compound [CHEBI:38101] (3202) 
 quinolines [CHEBI:26513] (132) 
 neratinib [CHEBI:61397] (1)
 organic heteropolycyclic compound [CHEBI:38166] (2613) 
 organic heterobicyclic compound [CHEBI:27171] (1315) 
 quinolines [CHEBI:26513] (132) 
 neratinib [CHEBI:61397] (1)
 heteropolycyclic compound [CHEBI:33671] (2613) 
 organic heteropolycyclic compound [CHEBI:38166] (2613) 
 organic heterobicyclic compound [CHEBI:27171] (1315) 
 quinolines [CHEBI:26513] (132) 
 neratinib [CHEBI:61397] (1)
 heterobicyclic compound [CHEBI:33672] (1315) 
 organic heterobicyclic compound [CHEBI:27171] (1315) 
 quinolines [CHEBI:26513] (132) 
 neratinib [CHEBI:61397] (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) 
 neratinib [CHEBI:61397] (1)
 organic heteropolycyclic compound [CHEBI:38166] (2613) 
 organic heterobicyclic compound [CHEBI:27171] (1315) 
 quinolines [CHEBI:26513] (132) 
 neratinib [CHEBI:61397] (1)
ChEBI Compound Accession Identifier  [CHEBI:61397]
ChEBI Compound Description  A quinoline compound having a cyano group at the 3-position, a 3-chloro-4-(2-pyridylmethoxy)anilino group at the 4-position, a 4-dimethylamino-trans-but-2-enamido group at the 6-position, and an ethoxy group at the 7-position.
ChEBI Compound Identification Number  61397
ChEBI InChI Value  InChI=1S/C30H31ClN6O2/c1-4-38-29-17-26-24(16-27(29)34-13-7-8-14-37(2)3)30(21(18-32)19-35-26)36-22-10-11-28(25(31)15-22)39-20-23-9-5-6-12-33-23/h5-12,15-17,19,34H,4,13-14,20H2,1-3H3,(H,35,36)/b8-7+
ChEBI InChIKey Value  ZNHPZUKZSNBOSQ-BQYQJAHWSA-N
ChEBI Compound Name  neratinib
ChEBI SMILES Value  CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC\C=C\CN(C)C
ChEBI Substance ID  111978345
ChEBI URL  ChEBI:61397
ChemSpider ID  26332217
Ontomatica Chemical Accession Key (OnChAKey)  ZNHPZUKZSNBOSQ_BQYQJAHWSA_N_000_000000
PubChem Compound ID  50909854