The Drug-Drug Interactions Ontology - quinupristin - Classes | NCBO BioPortal

The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

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Preferred Name	quinupristin
Synonyms	N-[(3S,6S,12R,15S,16R,19S)-25-{[(3S)-1-azabicyclo[2.2.2]octan-3-ylsulfanyl]methyl}-3-{[4-(dimethylamino)phenyl]methyl}-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentaazatricyclo[20.4.0.0^{6,10}]hexacosan-15-yl]-3-hydroxypyridine-2-carboxamide C53H67N9O10S
ID	http://purl.obolibrary.org/obo/dinto_DB01369
CASRN	120138-50-3
Definition	Quinupristin/dalfopristin is a combination of two antibiotics used to treat infections by staphylococci and by vancomycin-resistant Enterococcus faecium. Dalfopristin inhibits the early phase of protein synthesis in the bacterial ribosome and quinupristin inhibits the late phase of protein synthesis. The combination of the two components acts synergistically and is more effective in vitro than each component alone.
has pharmacological target	http://purl.obolibrary.org/obo/dinto_2448 http://purl.obolibrary.org/obo/dinto_2857 http://purl.obolibrary.org/obo/dinto_2752
InChI	InChI=1S/C53H67N9O10S/c1-6-37-50(68)61-23-11-14-38(61)51(69)59(5)40(26-32-16-18-36(19-17-32)58(3)4)52(70)62-28-35(30-73-43-29-60-24-20-33(43)21-25-60)42(64)27-39(62)47(65)57-45(34-12-8-7-9-13-34)53(71)72-31(2)44(48(66)55-37)56-49(67)46-41(63)15-10-22-54-46/h7-10,12-13,15-19,22,31,33,35,37-40,43-45,63H,6,11,14,20-21,23-30H2,1-5H3,(H,55,66)(H,56,67)(H,57,65)/t31-,35?,37-,38+,39?,40+,43-,44+,45+/m1/s1
InChIKey	InChIKey=WTHRRGMBUAHGNI-MJWHERSYSA-N
inhibits	http://purl.obolibrary.org/obo/dinto_2448 http://purl.obolibrary.org/obo/dinto_2857 http://purl.obolibrary.org/obo/dinto_0901 http://purl.obolibrary.org/obo/dinto_2752
label	quinupristin
may interact with	http://purl.obolibrary.org/obo/dinto_DB00683 http://purl.obolibrary.org/obo/CHEBI_9948 http://purl.obolibrary.org/obo/CHEBI_9943 http://purl.obolibrary.org/obo/CHEBI_5280 http://purl.obolibrary.org/obo/CHEBI_119573 http://purl.obolibrary.org/obo/CHEBI_585948 http://purl.obolibrary.org/obo/CHEBI_45863 http://purl.obolibrary.org/obo/CHEBI_41774 http://purl.obolibrary.org/obo/CHEBI_127780 http://purl.obolibrary.org/obo/dinto_DB00541 http://purl.obolibrary.org/obo/CHEBI_4672 http://purl.obolibrary.org/obo/CHEBI_36373 http://purl.obolibrary.org/obo/CHEBI_4995 http://purl.obolibrary.org/obo/dinto_DB00224 http://purl.obolibrary.org/obo/CHEBI_8707 http://purl.obolibrary.org/obo/CHEBI_101278 http://purl.obolibrary.org/obo/CHEBI_4911 http://purl.obolibrary.org/obo/CHEBI_63611 http://purl.obolibrary.org/obo/CHEBI_6541 http://purl.obolibrary.org/obo/CHEBI_4031 http://purl.obolibrary.org/obo/CHEBI_61049 http://purl.obolibrary.org/obo/CHEBI_9150 http://purl.obolibrary.org/obo/dinto_DB00104 http://purl.obolibrary.org/obo/dinto_DB00342 http://purl.obolibrary.org/obo/CHEBI_40303 http://purl.obolibrary.org/obo/CHEBI_45081 http://purl.obolibrary.org/obo/CHEBI_3558 http://purl.obolibrary.org/obo/CHEBI_4717 http://purl.obolibrary.org/obo/dinto_DB00270 http://purl.obolibrary.org/obo/dinto_DB00570 http://purl.obolibrary.org/obo/CHEBI_63598 http://purl.obolibrary.org/obo/CHEBI_7565 http://purl.obolibrary.org/obo/CHEBI_75984 http://purl.obolibrary.org/obo/dinto_DB00691 http://purl.obolibrary.org/obo/dinto_DB00365 http://purl.obolibrary.org/obo/CHEBI_75988 http://purl.obolibrary.org/obo/CHEBI_30621 http://purl.obolibrary.org/obo/CHEBI_3387 http://purl.obolibrary.org/obo/CHEBI_3720 http://purl.obolibrary.org/obo/CHEBI_9011 http://purl.obolibrary.org/obo/CHEBI_39548 http://purl.obolibrary.org/obo/CHEBI_3732 http://purl.obolibrary.org/obo/CHEBI_480999 http://purl.obolibrary.org/obo/CHEBI_6888 http://purl.obolibrary.org/obo/CHEBI_63629 http://purl.obolibrary.org/obo/CHEBI_28593 http://purl.obolibrary.org/obo/dinto_DB00528 http://purl.obolibrary.org/obo/dinto_DB00199 http://purl.obolibrary.org/obo/CHEBI_6441 http://purl.obolibrary.org/obo/dinto_DB00503 http://purl.obolibrary.org/obo/CHEBI_49575 http://purl.obolibrary.org/obo/dinto_DB01320 http://purl.obolibrary.org/obo/CHEBI_7575 http://purl.obolibrary.org/obo/dinto_DB00401 http://purl.obolibrary.org/obo/CHEBI_4657 http://purl.obolibrary.org/obo/dinto_DB01218 http://purl.obolibrary.org/obo/CHEBI_2896 http://purl.obolibrary.org/obo/CHEBI_6456 http://purl.obolibrary.org/obo/dinto_DB01346 http://purl.obolibrary.org/obo/CHEBI_63613 http://purl.obolibrary.org/obo/dinto_DB01341 http://purl.obolibrary.org/obo/dinto_DB00622 http://purl.obolibrary.org/obo/CHEBI_4681 http://purl.obolibrary.org/obo/CHEBI_2668
prefixIRI	obo2:dinto_DB01369
prefLabel	quinupristin
SMILES	CC[C@H]1NC(=O)[C@@H](NC(=O)C2=NC=CC=C2O)[C@@H](C)OC(=O)[C@@H](NC(=O)C2CC(=O)C(CS[C@@H]3CN4CCC3CC4)CN2C(=O)[C@H](CC2=CC=C(C=C2)N(C)C)N(C)C(=O)[C@@H]2CCCN2C1=O)C1=CC=CC=C1
Synonym	N-[(3S,6S,12R,15S,16R,19S)-25-{[(3S)-1-azabicyclo[2.2.2]octan-3-ylsulfanyl]methyl}-3-{[4-(dimethylamino)phenyl]methyl}-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentaazatricyclo[20.4.0.0^{6,10}]hexacosan-15-yl]-3-hydroxypyridine-2-carboxamide C53H67N9O10S
xref	PharmGKB:PA164749647 Wikipedia:http://en.wikipedia.org/wiki/Quinupristin PDB:SYB
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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Delete	Mapping To	Ontology	Source
	http://purl.obolibrary.org/obo/CHEBI_8732	CHEBI	LOOM
	http://sbmi.uth.tmc.edu/ontology/ochv#C0756081	OCHV	LOOM
	http://purl.bioontology.org/ontology/MESH/C113825	MESH	LOOM
	http://purl.bioontology.org/ontology/RXNORM/229367	RXNORM	LOOM
	http://purl.bioontology.org/ontology/NDDF/007887	NDDF	LOOM
	https://go.drugbank.com/drugs/DB01369	MDM	LOOM
	http://purl.bioontology.org/ontology/VANDF/4021184	VANDF	LOOM
	http://www.co-ode.org/ontologies/galen#Quinupristin	GALEN	LOOM
	http://sbmi.uth.tmc.edu/ontology/ochv#48597	OCHV	LOOM
	http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C47701	NCIT	LOOM
	http://purl.bioontology.org/ontology/SNOMEDCT/387015002	SNOMEDCT	LOOM
	http://purl.obolibrary.org/obo/ARO_3000584	ARO	LOOM
	http://purl.obolibrary.org/obo/CHEBI_8732	PDRO	LOOM
	http://purl.obolibrary.org/obo/CHEBI_8732	BERO	LOOM
	http://purl.obolibrary.org/obo/CHEBI_8732	DRON	LOOM
	http://purl.obolibrary.org/obo/CHEBI_8732	GENEPIO	LOOM
	http://purl.bioontology.org/ontology/NDFRT/N0000148631	NDFRT	LOOM
	http://phenomebrowser.net/ontologies/mesh/mesh.owl#C113825	RH-MESH	LOOM
	http://purl.obolibrary.org/obo/NCIT_C47701	BERO	LOOM