The Drug-Drug Interactions Ontology - entecavir (anhydrous) - Classes | NCBO BioPortal

The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

Id	http://purl.obolibrary.org/obo/CHEBI_473990 http://purl.obolibrary.org/obo/CHEBI_473990
Preferred Name	entecavir (anhydrous)
Synonyms	entecavir 2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-6,9-dihydro-3H-purin-6-one 2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-1,9-dihydro-6H-purin-6-one C12H15N5O3
Type	http://www.w3.org/2002/07/owl#Class

prefLabel	entecavir (anhydrous)
label	entecavir (anhydrous)
ATCCode	J05AF10
Definition	Guanine substituted at the 9 position by a 4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl group. A synthetic analogue of 2'-deoxyguanosine, it is a nucleoside reverse transcriptase inhibitor with selective antiviral activity against hepatitis B virus. Entecavir 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. It is used for the treatment of chronic hepatitis B.
has pharmacological target	http://purl.obolibrary.org/obo/dinto_2873
type	http://www.w3.org/2002/07/owl#Class
has role	http://purl.obolibrary.org/obo/CHEBI_59897 http://purl.obolibrary.org/obo/CHEBI_36044
InChIKey	InChIKey=QDGZDCVAUDNJFG-FXQIFTODSA-N
AHFScode	08:18.32
Synonym	entecavir 2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-6,9-dihydro-3H-purin-6-one 2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-1,9-dihydro-6H-purin-6-one C12H15N5O3
xref	National Drug Code Directory:0003-1611-12 Drugs.com:http://www.drugs.com/cdi/entecavir.html DrugBank:DB00442 CASRN:142217-69-4 PharmGKB:PA164784025 PubChem Substance:46504864 Wikipedia:http://en.wikipedia.org/wiki/Entecavir Beilstein:7692760 Drugs Product Database (DPD):2282224 RxList:http://www.rxlist.com/cgi/generic4/baraclude.htm ChemSpider:135679 KEGG DRUG:D07896 PubChem Compound:153941 See more See less
CASRN	142217-69-4
prefixIRI	obo2:CHEBI_473990
related with	http://purl.obolibrary.org/obo/dinto_2873
SMILES	NC1=NC(=O)C2=C(N1)N(C=N2)[C@H]1C[C@H](O)[C@@H](CO)C1=C Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1C[C@H](O)[C@@H](CO)C1=C
DBname	entecavir
InChI	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	http://purl.obolibrary.org/obo/dinto_000055

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