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entecavir hydrate
The monohydrate form of entecavir. A synthetic analogue of 2'-deoxyguanosine, entecavir is a nucleoside reverse transcriptase inhibitor with selective antiviral activity against hepatitis B virus. It is phosphorylated intracellularly to the active triphosphate form, which competes with deoxyguanosine triphosphate, the natural substrate of hepatitis B virus reverse transcriptase, inhibiting every stage of the enzyme's activity, although it has no activity against HIV. Enteclavir is used for the treatment of chronic hepatitis B.


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03. Biological Effects of Specific Chemicals: biochemical uses [CHEBI:52206] > enzyme inhibitor [CHEBI:23924] > reverse transcriptase inhibitor [CHEBI:59897] > entecavir hydrate [CHEBI:59902]
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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) 
 reverse transcriptase inhibitor [CHEBI:59897] (5) 
 entecavir hydrate [CHEBI:59902] (1)
 antimicrobial agent [CHEBI:33281] (927) 
 antiviral agent [CHEBI:22587] (216) 
 antiviral drug [CHEBI:36044] (50) 
 entecavir hydrate [CHEBI:59902] (1)
08. Chemical Category 
08. Chemical Category
 polyatomic entity [CHEBI:36357] (18777) 
 heteroatomic molecular entity [CHEBI:37577] (13672) 
 addition compound [CHEBI:35504] (113) 
 hydrate [CHEBI:35505] (111) 
 entecavir hydrate [CHEBI:59902] (1)
ChEBI Compound Accession Identifier  [CHEBI:59902]
ChEBI Compound Description  The monohydrate form of entecavir. A synthetic analogue of 2'-deoxyguanosine, entecavir is a nucleoside reverse transcriptase inhibitor with selective antiviral activity against hepatitis B virus. It is phosphorylated intracellularly to the active triphosphate form, which competes with deoxyguanosine triphosphate, the natural substrate of hepatitis B virus reverse transcriptase, inhibiting every stage of the enzyme's activity, although it has no activity against HIV. Enteclavir is used for the treatment of chronic hepatitis B.
ChEBI Compound Identification Number  59902
ChEBI InChI Value  "InChI=1S/C12H15N5O3.H2O/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20;/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20);1H2/t6-,7-,8-;/m0./s1"
ChEBI InChIKey Value  YXPVEXCTPGULBZ-WQYNNSOESA-N
ChEBI Compound Name  entecavir hydrate
ChEBI SMILES Value  O.Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1C[C@H](O)[C@@H](CO)C1=C
ChEBI Substance ID  99319526
ChEBI URL  ChEBI:59902
ChemSpider ID  NS
Ontomatica Chemical Accession Key (OnChAKey)  YXPVEXCTPGULBZ_WQYNNSOESA_N_000_000000
PubChem Compound ID  16052026