The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

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Preferred Name	entacapone
Synonyms	entacaponum C14H15N3O5 (2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide Comtan Comtess entacapona (E)-alpha-Cyano-N,N-diethyl-3,4-dihydroxy-5-nitrocinnamamide Entacapone N,N-diethyl-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl) acrylamide entacapone
ID	http://purl.obolibrary.org/obo/CHEBI_4798
AHFScode	28:92.00
ATCCode	N04BX02
CASRN	130929-57-6
DBBrand	comtan comtess
DBname	entacapone
DBSynonym	entacapone [usan:inn] entacapona [inn-spanish] entacaponum [inn-latin]
Definition	A monocarboxylic acid amide that is N,N-diethylprop-2-enamide in which the hydrogen at position 2 is substituted by a cyano group and the hydrogen at the 3E position is substituted by a 3,4-dihydroxy-5-nitrophenyl group.
has effect	http://purl.obolibrary.org/obo/OAE_0000388 http://purl.obolibrary.org/obo/OAE_0000496 http://purl.obolibrary.org/obo/OAE_0000449 http://purl.obolibrary.org/obo/OAE_0000453 http://purl.obolibrary.org/obo/OAE_0000597 http://purl.obolibrary.org/obo/OAE_0000356 http://purl.obolibrary.org/obo/OAE_0000604 http://purl.obolibrary.org/obo/OAE_0000905 http://purl.obolibrary.org/obo/OAE_0000902 http://purl.obolibrary.org/obo/OAE_0000391 http://purl.obolibrary.org/obo/OAE_0000218 http://purl.obolibrary.org/obo/OAE_0000376 http://purl.obolibrary.org/obo/OAE_0000659 http://purl.obolibrary.org/obo/OAE_0000492 http://purl.obolibrary.org/obo/OAE_0000596 http://purl.obolibrary.org/obo/OAE_0000561 http://purl.obolibrary.org/obo/OAE_0000825 http://purl.obolibrary.org/obo/OAE_0000493 http://purl.obolibrary.org/obo/OAE_0000921 http://purl.obolibrary.org/obo/OAE_0000512 http://purl.obolibrary.org/obo/OAE_0000308 http://purl.obolibrary.org/obo/OAE_0001369 http://purl.obolibrary.org/obo/OAE_0000567 http://purl.obolibrary.org/obo/OAE_0000373 http://purl.obolibrary.org/obo/OAE_0000210 http://purl.obolibrary.org/obo/OAE_0000021 http://purl.obolibrary.org/obo/OAE_0001448 http://purl.obolibrary.org/obo/OAE_0000317 http://purl.obolibrary.org/obo/OAE_0000482 http://purl.obolibrary.org/obo/OAE_0000382 http://purl.obolibrary.org/obo/OAE_0001025 http://purl.obolibrary.org/obo/OAE_0000365 http://purl.obolibrary.org/obo/OAE_0000600 http://purl.obolibrary.org/obo/OAE_0001378 http://purl.obolibrary.org/obo/OAE_0000310 http://purl.obolibrary.org/obo/OAE_0000050 http://purl.obolibrary.org/obo/OAE_0000984 http://purl.obolibrary.org/obo/OAE_0000426 http://purl.obolibrary.org/obo/OAE_0000403 http://purl.obolibrary.org/obo/OAE_0000612 http://purl.obolibrary.org/obo/OAE_0001026 http://purl.obolibrary.org/obo/OAE_0000601 http://purl.obolibrary.org/obo/OAE_0001463 http://purl.obolibrary.org/obo/OAE_0000300 http://purl.obolibrary.org/obo/OAE_0000551 http://purl.obolibrary.org/obo/OAE_0000455 http://purl.obolibrary.org/obo/OAE_0001234 http://purl.obolibrary.org/obo/OAE_0000782 http://purl.obolibrary.org/obo/OAE_0001057 http://purl.obolibrary.org/obo/OAE_0000309 http://purl.obolibrary.org/obo/OAE_0000400 http://purl.obolibrary.org/obo/OAE_0000086 http://purl.obolibrary.org/obo/OAE_0000645 http://purl.obolibrary.org/obo/OAE_0000584 http://purl.obolibrary.org/obo/OAE_0001129 http://purl.obolibrary.org/obo/OAE_0000666 http://purl.obolibrary.org/obo/OAE_0000542 http://purl.obolibrary.org/obo/OAE_0000414 http://purl.obolibrary.org/obo/OAE_0000789 http://purl.obolibrary.org/obo/OAE_0000968 http://purl.obolibrary.org/obo/OAE_0000034 http://purl.obolibrary.org/obo/OAE_0002122 http://purl.obolibrary.org/obo/OAE_0000495 http://purl.obolibrary.org/obo/OAE_0000508 http://purl.obolibrary.org/obo/OAE_0000401 http://purl.obolibrary.org/obo/OAE_0000343 http://purl.obolibrary.org/obo/OAE_0001403 http://purl.obolibrary.org/obo/OAE_0000536 http://purl.obolibrary.org/obo/OAE_0000647 http://purl.obolibrary.org/obo/OAE_0000505 http://purl.obolibrary.org/obo/OAE_0000385 http://purl.obolibrary.org/obo/OAE_0000602 http://purl.obolibrary.org/obo/OAE_0000487 http://purl.obolibrary.org/obo/OAE_0000421 http://purl.obolibrary.org/obo/OAE_0000396 http://purl.obolibrary.org/obo/OAE_0000390 http://purl.obolibrary.org/obo/OAE_0000362 http://purl.obolibrary.org/obo/OAE_0000374 http://purl.obolibrary.org/obo/OAE_0000462 http://purl.obolibrary.org/obo/OAE_0000488 http://purl.obolibrary.org/obo/OAE_0000885 http://purl.obolibrary.org/obo/OAE_0001458 http://purl.obolibrary.org/obo/OAE_0000402
has pharmacological target	http://purl.obolibrary.org/obo/dinto_3100
has role	http://purl.obolibrary.org/obo/CHEBI_35470 http://purl.obolibrary.org/obo/CHEBI_66956 http://purl.obolibrary.org/obo/CHEBI_48406 http://purl.obolibrary.org/obo/CHEBI_48407
InChI	InChI=1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3/b10-5+
InChIKey	InChIKey=JRURYQJSLYLRLN-BJMVGYQFSA-N
inhibits	http://purl.obolibrary.org/obo/dinto_3100
is metabolised by	http://purl.obolibrary.org/obo/dinto_0265
label	entacapone
may interact with	http://purl.obolibrary.org/obo/CHEBI_28918 http://purl.obolibrary.org/obo/dinto_DB00221 http://purl.obolibrary.org/obo/CHEBI_4670 http://purl.obolibrary.org/obo/dinto_DB01064 http://purl.obolibrary.org/obo/CHEBI_48538 http://purl.obolibrary.org/obo/CHEBI_3133 http://purl.obolibrary.org/obo/CHEBI_18243 http://purl.obolibrary.org/obo/dinto_DB00780 http://purl.obolibrary.org/obo/dinto_DB00427 http://purl.obolibrary.org/obo/dinto_DB01247 http://purl.obolibrary.org/obo/dinto_DB00752 http://purl.obolibrary.org/obo/CHEBI_61058 http://purl.obolibrary.org/obo/CHEBI_18357
prefixIRI	obo2:CHEBI_4798
prefLabel	entacapone
SMILES	CCN(CC)C(=O)C(\\C#N)=C\\c1cc(O)c(O)c(c1)[N+]([O-])=O CCN(CC)C(=O)C(=C\C1=CC(=C(O)C(O)=C1)[N+]([O-])=O)\C#N
Synonym	entacaponum C14H15N3O5 (2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide Comtan Comtess entacapona (E)-alpha-Cyano-N,N-diethyl-3,4-dihydroxy-5-nitrocinnamamide Entacapone N,N-diethyl-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl) acrylamide entacapone
xref	National Drug Code Directory:0078-0327-05 CiteXplore:11732751 ChemSpider:4444537 Reaxys:8158723 KEGG COMPOUND:C07943 ChEBI:4798 KEGG DRUG:D00781 PubChem Compound:5281081 PubChem Substance:46508734 RxList:http://www.rxlist.com/cgi/generic3/entac.htm Patent:US6599530 Patent:US5135950 CiteXplore:15698633 CiteXplore:11244274 PharmGKB:PA164748726 CiteXplore:19879254 CiteXplore:15875340 ChEMBL:192412 Wikipedia:Entacapone Wikipedia:http://en.wikipedia.org/wiki/Entacapone CiteXplore:15878587 CASRN:130929-57-6 CiteXplore:12952501 Drugs Product Database (DPD):2243763 Patent:WO2005063693 CiteXplore:19578428 CiteXplore:15992091 Drugs.com:http://www.drugs.com/cdi/entacapone.html DrugBank:DB00494 Patent:EP426468 CiteXplore:11586115
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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Mapping To	Ontology	Source
http://purl.obolibrary.org/obo/CHEBI_4798	CHEBI	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_4798	PDRO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_4798	COVID-19	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_4798	BERO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_4798	BIOMODELS	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_4798	DRON	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_4798	NIFSTD	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_4798	CHEBI	LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/387018000	SNOMEDCT	LOOM
http://purl.bioontology.org/ontology/RCD/dqD..	RCD	LOOM
http://www.co-ode.org/ontologies/galen#Entacapone	GALEN	LOOM
http://purl.bioontology.org/ontology/MESH/C071192	MESH	LOOM
http://www.phoc.org.cn/pmo/class/PMO_00026543	PMAPP-PMO	LOOM
http://purl.bioontology.org/ontology/RXNORM/60307	RXNORM	LOOM
http://purl.bioontology.org/ontology/NDDF/007684	NDDF	LOOM
http://stirdf.jst.go.jp/id/200907027701540528	IOBC	LOOM
http://www.semanticweb.org/ontologies/2011/1/Ontology1296772722296.owl#EPO_00000069	PDON	LOOM
http://purl.obolibrary.org/obo/CHEBI_4798	PDRO	LOOM
http://purl.obolibrary.org/obo/CHEBI_4798	COVID-19	LOOM
http://purl.obolibrary.org/obo/CHEBI_4798	BERO	LOOM
http://purl.obolibrary.org/obo/CHEBI_4798	BIOMODELS	LOOM
http://purl.obolibrary.org/obo/CHEBI_4798	DRON	LOOM
http://purl.obolibrary.org/obo/CHEBI_4798	NIFSTD	LOOM
http://www.drugbank.ca/drugs/DB00494	FTC	LOOM
http://purl.bioontology.org/ontology/VANDF/4021181	VANDF	LOOM
http://purl.jp/bio/4/id/200906023509610777	IOBC	LOOM
https://go.drugbank.com/drugs/DB00494	MDM	LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C61746	NCIT	LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#18076	OCHV	LOOM
http://purl.obolibrary.org/obo/NCIT_C61746	BERO	LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0165921	OCHV	LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#C071192	RH-MESH	LOOM
http://purl.bioontology.org/ontology/ATC/N04BX02	ATC	LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000148629	NDFRT	LOOM