The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Id http://purl.obolibrary.org/obo/CHEBI_59902
http://purl.obolibrary.org/obo/CHEBI_59902
Preferred Name

entecavir hydrate
Synonyms
C12H17N5O4
entecavir
2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-6,9-dihydro-3H-purin-6-one
9-((1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)guanine monohydrate
entecavir monohydrate
2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-1,9-dihydro-6H-purin-6-one--water (1/1)
C12H15N5O3
Type http://www.w3.org/2002/07/owl#Class

All Properties

prefLabel
entecavir hydrate
label
entecavir hydrate
ATCCode
J05AF10
Definition
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.
has effect
http://purl.obolibrary.org/obo/OAE_0000388
http://purl.obolibrary.org/obo/OAE_0000599
http://purl.obolibrary.org/obo/OAE_0000453
http://purl.obolibrary.org/obo/OAE_0001373
http://purl.obolibrary.org/obo/OAE_0000377
http://purl.obolibrary.org/obo/OAE_0000391
http://purl.obolibrary.org/obo/OAE_0000415
http://purl.obolibrary.org/obo/OAE_0000195
http://purl.obolibrary.org/obo/OAE_0000600
http://purl.obolibrary.org/obo/OAE_0000476
http://purl.obolibrary.org/obo/OAE_0000454
http://purl.obolibrary.org/obo/OAE_0001026
http://purl.obolibrary.org/obo/OAE_0000601
http://purl.obolibrary.org/obo/OAE_0000455
http://purl.obolibrary.org/obo/OAE_0000494
http://purl.obolibrary.org/obo/OAE_0001129
http://purl.obolibrary.org/obo/OAE_0002206
http://purl.obolibrary.org/obo/OAE_0000034
http://purl.obolibrary.org/obo/OAE_0001484
http://purl.obolibrary.org/obo/OAE_0001217
http://purl.obolibrary.org/obo/OAE_0000362
http://purl.obolibrary.org/obo/OAE_0000296
http://purl.obolibrary.org/obo/OAE_0000374
http://purl.obolibrary.org/obo/OAE_0000358
http://purl.obolibrary.org/obo/OAE_0001035
http://purl.obolibrary.org/obo/OAE_0000456
http://purl.obolibrary.org/obo/OAE_0001364
http://purl.obolibrary.org/obo/OAE_0000402
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has pharmacological target
type
has role
InChIKey
InChIKey=QDGZDCVAUDNJFG-FXQIFTODSA-N
InChIKey=YXPVEXCTPGULBZ-WQYNNSOESA-N
AHFScode
08:18.32
Synonym
C12H17N5O4
entecavir
2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-6,9-dihydro-3H-purin-6-one
9-((1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)guanine monohydrate
entecavir monohydrate
2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-1,9-dihydro-6H-purin-6-one--water (1/1)
C12H15N5O3
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xref
KEGG DRUG:D04008
National Drug Code Directory:0003-1611-12
Drugs.com:http://www.drugs.com/cdi/entecavir.html
DrugBank:DB00442
PharmGKB:PA164784025
PubChem Substance:46504864
Wikipedia:http://en.wikipedia.org/wiki/Entecavir
Drugs Product Database (DPD):2282224
CASRN:209216-23-9
RxList:http://www.rxlist.com/cgi/generic4/baraclude.htm
ChemSpider:135679
PubChem Compound:153941
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CASRN
142217-69-4
prefixIRI
obo2:CHEBI_59902
related with
SMILES
O.Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1C[C@H](O)[C@@H](CO)C1=C
NC1=NC(=O)C2=C(N1)N(C=N2)[C@H]1C[C@H](O)[C@@H](CO)C1=C
DBname
entecavir
InChI
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
InChI=1S/C12H15N5O3/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)/t6-,7-,8-/m0/s1
DBBrand
baraclude
subClassOf
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