The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

Id	http://purl.obolibrary.org/obo/CHEBI_9605 http://purl.obolibrary.org/obo/CHEBI_9605
Preferred Name	tirofiban
Synonyms	N-(Butylsulfonyl)-O-(4-(4-piperidyl)butyl)-L-tyrosine (2S)-2-(butane-1-sulfonamido)-3-{4-[4-(piperidin-4-yl)butoxy]phenyl}propanoic acid tirofibanum Tirofiban (2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid N-(butylsulfonyl)-O-(4-piperidin-4-ylbutyl)-L-tyrosine tirofiban C22H36N2O5S
Type	http://www.w3.org/2002/07/owl#Class

prefLabel	tirofiban
label	tirofiban
ATCCode	B01AC17
Definition	A member of the class of piperidines that is L-tyrosine in which a hydrogen attached to the amino group is replaced by a butylsulfonyl group and in which the hydrogen attached to the phenolic hydroxy group is replaced by a 4-(piperidin-4-yl)butyl group.
altId	CHEBI:40602
has effect	http://purl.obolibrary.org/obo/OAE_0000388 http://purl.obolibrary.org/obo/OAE_0000377 http://purl.obolibrary.org/obo/OAE_0000218 http://purl.obolibrary.org/obo/OAE_0000376 http://purl.obolibrary.org/obo/OAE_0000650 http://purl.obolibrary.org/obo/OAE_0001013 http://purl.obolibrary.org/obo/OAE_0001448 http://purl.obolibrary.org/obo/OAE_0000600 http://purl.obolibrary.org/obo/OAE_0000403 http://purl.obolibrary.org/obo/OAE_0001003 http://purl.obolibrary.org/obo/OAE_0001014 http://purl.obolibrary.org/obo/OAE_0000584 http://purl.obolibrary.org/obo/OAE_0000401 http://purl.obolibrary.org/obo/OAE_0000501 http://purl.obolibrary.org/obo/OAE_0000374 http://purl.obolibrary.org/obo/OAE_0000394 See more See less
has pharmacological target	http://purl.obolibrary.org/obo/dinto_2013 http://purl.obolibrary.org/obo/dinto_1017
type	http://www.w3.org/2002/07/owl#Class
has role	http://purl.obolibrary.org/obo/CHEBI_50249 http://purl.obolibrary.org/obo/CHEBI_50433 http://purl.obolibrary.org/obo/CHEBI_48676
InChIKey	InChIKey=COKMIXFXJJXBQG-NRFANRHFSA-N
blocks	http://purl.obolibrary.org/obo/dinto_2013 http://purl.obolibrary.org/obo/dinto_1017
AHFScode	20:12.18
Synonym	N-(Butylsulfonyl)-O-(4-(4-piperidyl)butyl)-L-tyrosine (2S)-2-(butane-1-sulfonamido)-3-{4-[4-(piperidin-4-yl)butoxy]phenyl}propanoic acid tirofibanum Tirofiban (2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid N-(butylsulfonyl)-O-(4-piperidin-4-ylbutyl)-L-tyrosine tirofiban C22H36N2O5S See more See less
xref	PubChem Substance:46504678 ChEMBL:182721 ChemSpider:54912 Drugs.com:http://www.drugs.com/cdi/tirofiban.html Wikipedia:Tirofiban RxList:http://www.rxlist.com/cgi/generic/tiro.htm Wikipedia:http://en.wikipedia.org/wiki/Tirofiban DrugBank:DB00775 Beilstein:6182267 CASRN:144494-65-5 Drugs Product Database (DPD):2240706 PharmGKB:PA451698 KEGG COMPOUND:C07965 Patent:US5292756 PDBeChem:AGG ChEBI:9605 Patent:EP478363 PubChem Compound:60947 PDB:AGG National Drug Code Directory:25208-001-01 See more See less
CASRN	144494-65-5
prefixIRI	obo2:CHEBI_9605
SMILES	CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O CCCCS(=O)(=O)N[C@@H](CC1=CC=C(OCCCCC2CCNCC2)C=C1)C(O)=O
may interact with	http://purl.obolibrary.org/obo/dinto_DB00054 http://purl.obolibrary.org/obo/CHEBI_50861 http://purl.obolibrary.org/obo/CHEBI_291902 http://purl.obolibrary.org/obo/dinto_DB01381
DBname	tirofiban
InChI	InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1
DBBrand	tirofiban [ban:inn] aggrastat agg
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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