The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

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Preferred Name	buprenorphine
Synonyms	buprenorphinum C29H41NO4 17-cyclopropylmethyl-4,5alpha-epoxy-7alpha-((S)-1-hydroxy-1,2,2-trimethylpropyl)-6-methoxy-6,14-endo-ethanomorphinan-3-ol (1S,2R,6S,14R,15R,16R)-3-(cyclopropylmethyl)-16-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-3-azahexacyclo[13.2.2.1^{2,8}.0^{1,6}.0^{6,14}.0^{7,12}]icosa-7,9,11-trien-11-ol 2-(N-cyclopropylmethyl-4,5alpha-epoxy-3-hydroxy-6-methoxy-6,14-endo-ethanomorphinan-6alpha-yl)-3,3-dimethyl-2-butanol (-)-buprenorphine (5alpha,6beta,14beta,18R)-17-(cyclopropylmethyl)-18-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol Buprenorphine 21-cyclopropyl-7alpha-[(S)-1-hydroxy-1,2,2-trimethylpropyl]-6,14-endo-ethano-6,7,8,14-tetrahydrooripavine 2-[3-cyclopropylmethyl-11-hydroxy-15-methoxy-(14R)-13-oxa-3-azahexacyclo[13.2.2.12,8.01,6.06,14.07,12]icosa-7,9,11-trien-16-yl]-3,3-dimethyl-2-butanol buprenorphine buprenorfina
ID	http://purl.obolibrary.org/obo/CHEBI_3216
AHFScode	28:08.12
altId	CHEBI:143179 CHEBI:489640 CHEBI:453763 CHEBI:166254 CHEBI:656608
ATCCode	N02AE01 N07BC01
binds	http://purl.obolibrary.org/obo/dinto_2651 http://purl.obolibrary.org/obo/dinto_0883 http://purl.obolibrary.org/obo/dinto_2993 http://purl.obolibrary.org/obo/dinto_0291 http://purl.obolibrary.org/obo/dinto_0901 http://purl.obolibrary.org/obo/dinto_1440 http://purl.obolibrary.org/obo/dinto_2496 http://purl.obolibrary.org/obo/dinto_2787 http://purl.obolibrary.org/obo/dinto_3960 http://purl.obolibrary.org/obo/dinto_0760 http://purl.obolibrary.org/obo/dinto_2058 http://purl.obolibrary.org/obo/dinto_2990 http://purl.obolibrary.org/obo/dinto_0265 http://purl.obolibrary.org/obo/dinto_1956 http://purl.obolibrary.org/obo/dinto_1959 http://purl.obolibrary.org/obo/dinto_1221
blocks	http://purl.obolibrary.org/obo/dinto_0760 http://purl.obolibrary.org/obo/dinto_3960
CASRN	52485-79-7
DBBrand	buprenex probuphine temgesic subutex butrans buprel
DBname	buprenorphine
DBSalt	buprenorphine hydrochloride
DBSynonym	buprenorfina [inn-spanish] buprenorphinum [inn-latin] buprenophine
Definition	A morphinane alkaloid that is 7,8-dihydromorphine 6-O-methyl ether in which positions 6 and 14 are joined by a -CH2CH2- bridge, one of the hydrogens of the N-methyl group is substituted by cyclopropyl, and a hydrogen at position 7 is substituted by a 2-hydroxy-3,3-dimethylbutan-2-yl group.
has effect	http://purl.obolibrary.org/obo/OAE_0000388 http://purl.obolibrary.org/obo/OAE_0000447 http://purl.obolibrary.org/obo/OAE_0000453 http://purl.obolibrary.org/obo/OAE_0001373 http://purl.obolibrary.org/obo/OAE_0000597 http://purl.obolibrary.org/obo/OAE_0000081 http://purl.obolibrary.org/obo/OAE_0000604 http://purl.obolibrary.org/obo/OAE_0000377 http://purl.obolibrary.org/obo/OAE_0001045 http://purl.obolibrary.org/obo/OAE_0000391 http://purl.obolibrary.org/obo/OAE_0000839 http://purl.obolibrary.org/obo/OAE_0000218 http://purl.obolibrary.org/obo/OAE_0000376 http://purl.obolibrary.org/obo/OAE_0000479 http://purl.obolibrary.org/obo/OAE_0000406 http://purl.obolibrary.org/obo/OAE_0000561 http://purl.obolibrary.org/obo/OAE_0001509 http://purl.obolibrary.org/obo/OAE_0001167 http://purl.obolibrary.org/obo/OAE_0000411 http://purl.obolibrary.org/obo/OAE_0000512 http://purl.obolibrary.org/obo/OAE_0000308 http://purl.obolibrary.org/obo/OAE_0001489 http://purl.obolibrary.org/obo/OAE_0000567 http://purl.obolibrary.org/obo/OAE_0000549 http://purl.obolibrary.org/obo/OAE_0000545 http://purl.obolibrary.org/obo/OAE_0000373 http://purl.obolibrary.org/obo/OAE_0000319 http://purl.obolibrary.org/obo/OAE_0000021 http://purl.obolibrary.org/obo/OAE_0000412 http://purl.obolibrary.org/obo/OAE_0000317 http://purl.obolibrary.org/obo/OAE_0001370 http://purl.obolibrary.org/obo/OAE_0000333 http://purl.obolibrary.org/obo/OAE_0000382 http://purl.obolibrary.org/obo/OAE_0000365 http://purl.obolibrary.org/obo/OAE_0000600 http://purl.obolibrary.org/obo/OAE_0000310 http://purl.obolibrary.org/obo/OAE_0000050 http://purl.obolibrary.org/obo/OAE_0000883 http://purl.obolibrary.org/obo/OAE_0000403 http://purl.obolibrary.org/obo/OAE_0000770 http://purl.obolibrary.org/obo/OAE_0000601 http://purl.obolibrary.org/obo/OAE_0000375 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_0000498 http://purl.obolibrary.org/obo/OAE_0000327 http://purl.obolibrary.org/obo/OAE_0000526 http://purl.obolibrary.org/obo/OAE_0001068 http://purl.obolibrary.org/obo/OAE_0000587 http://purl.obolibrary.org/obo/OAE_0000400 http://purl.obolibrary.org/obo/OAE_0000086 http://purl.obolibrary.org/obo/OAE_0000586 http://purl.obolibrary.org/obo/OAE_0000645 http://purl.obolibrary.org/obo/OAE_0000584 http://purl.obolibrary.org/obo/OAE_0000842 http://purl.obolibrary.org/obo/OAE_0000643 http://purl.obolibrary.org/obo/OAE_0002206 http://purl.obolibrary.org/obo/OAE_0000894 http://purl.obolibrary.org/obo/OAE_0000243 http://purl.obolibrary.org/obo/OAE_0000864 http://purl.obolibrary.org/obo/OAE_0000414 http://purl.obolibrary.org/obo/OAE_0000607 http://purl.obolibrary.org/obo/OAE_0000469 http://purl.obolibrary.org/obo/OAE_0000355 http://purl.obolibrary.org/obo/OAE_0001164 http://purl.obolibrary.org/obo/OAE_0000034 http://purl.obolibrary.org/obo/OAE_0000166 http://purl.obolibrary.org/obo/OAE_0002122 http://purl.obolibrary.org/obo/OAE_0000344 http://purl.obolibrary.org/obo/OAE_0000606 http://purl.obolibrary.org/obo/OAE_0000460 http://purl.obolibrary.org/obo/OAE_0000401 http://purl.obolibrary.org/obo/OAE_0000343 http://purl.obolibrary.org/obo/OAE_0000536 http://purl.obolibrary.org/obo/OAE_0000898 http://purl.obolibrary.org/obo/OAE_0000505 http://purl.obolibrary.org/obo/OAE_0000306 http://purl.obolibrary.org/obo/OAE_0001336 http://purl.obolibrary.org/obo/OAE_0000022 http://purl.obolibrary.org/obo/OAE_0000385 http://purl.obolibrary.org/obo/OAE_0000491 http://purl.obolibrary.org/obo/OAE_0000602 http://purl.obolibrary.org/obo/OAE_0000336 http://purl.obolibrary.org/obo/OAE_0000396 http://purl.obolibrary.org/obo/OAE_0000390 http://purl.obolibrary.org/obo/OAE_0000347 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_0000881 http://purl.obolibrary.org/obo/OAE_0000394 http://purl.obolibrary.org/obo/OAE_0000462 http://purl.obolibrary.org/obo/OAE_0000358 http://purl.obolibrary.org/obo/OAE_0000890 http://purl.obolibrary.org/obo/OAE_0000885 http://purl.obolibrary.org/obo/OAE_0000402 http://purl.obolibrary.org/obo/OAE_0000350
has pharmacological target	http://purl.obolibrary.org/obo/dinto_2787 http://purl.obolibrary.org/obo/dinto_3960
has role	http://purl.obolibrary.org/obo/CHEBI_55322 http://purl.obolibrary.org/obo/CHEBI_59283 http://purl.obolibrary.org/obo/CHEBI_59282 http://purl.obolibrary.org/obo/CHEBI_35482
InChI	InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29-/m1/s1
InChIKey	InChIKey=RMRJXGBAOAMLHD-IHFGGWKQSA-N
inhibits	http://purl.obolibrary.org/obo/dinto_2651 http://purl.obolibrary.org/obo/dinto_0883 http://purl.obolibrary.org/obo/dinto_2993 http://purl.obolibrary.org/obo/dinto_0291 http://purl.obolibrary.org/obo/dinto_0901 http://purl.obolibrary.org/obo/dinto_1440 http://purl.obolibrary.org/obo/dinto_2496
is metabolised by	http://purl.obolibrary.org/obo/dinto_2058 http://purl.obolibrary.org/obo/dinto_2990 http://purl.obolibrary.org/obo/dinto_2993 http://purl.obolibrary.org/obo/dinto_0265 http://purl.obolibrary.org/obo/dinto_0901 http://purl.obolibrary.org/obo/dinto_1956 http://purl.obolibrary.org/obo/dinto_1959 http://purl.obolibrary.org/obo/dinto_1221
is substrate of	http://purl.obolibrary.org/obo/dinto_2058 http://purl.obolibrary.org/obo/dinto_2990 http://purl.obolibrary.org/obo/dinto_2993 http://purl.obolibrary.org/obo/dinto_0265 http://purl.obolibrary.org/obo/dinto_0901 http://purl.obolibrary.org/obo/dinto_1956 http://purl.obolibrary.org/obo/dinto_1959 http://purl.obolibrary.org/obo/dinto_1221
label	buprenorphine
may interact with	http://purl.obolibrary.org/obo/CHEBI_71417 http://purl.obolibrary.org/obo/CHEBI_37924 http://purl.obolibrary.org/obo/CHEBI_4717 http://purl.obolibrary.org/obo/dinto_DB00780 http://purl.obolibrary.org/obo/CHEBI_681850 http://purl.obolibrary.org/obo/dinto_DB00582 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_63607 http://purl.obolibrary.org/obo/dinto_DB01171 http://purl.obolibrary.org/obo/CHEBI_63620 http://purl.obolibrary.org/obo/dinto_DB01037 http://purl.obolibrary.org/obo/dinto_DB06274 http://purl.obolibrary.org/obo/dinto_DB00976
modulates	http://purl.obolibrary.org/obo/dinto_0760 http://purl.obolibrary.org/obo/dinto_3960
prefixIRI	obo2:CHEBI_3216
prefLabel	buprenorphine
related with	http://purl.obolibrary.org/obo/dinto_2787
SMILES	[H][C@@]1(C[C@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5C[C@H]2N(CC[C@@]31c45)CC1CC1)[C@](C)(O)C(C)(C)C CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1CC4=C5C(O[C@@H]2[C@@]35CCN1CC1CC1)=C(O)C=C4
Synonym	buprenorphinum C29H41NO4 17-cyclopropylmethyl-4,5alpha-epoxy-7alpha-((S)-1-hydroxy-1,2,2-trimethylpropyl)-6-methoxy-6,14-endo-ethanomorphinan-3-ol (1S,2R,6S,14R,15R,16R)-3-(cyclopropylmethyl)-16-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-3-azahexacyclo[13.2.2.1^{2,8}.0^{1,6}.0^{6,14}.0^{7,12}]icosa-7,9,11-trien-11-ol 2-(N-cyclopropylmethyl-4,5alpha-epoxy-3-hydroxy-6-methoxy-6,14-endo-ethanomorphinan-6alpha-yl)-3,3-dimethyl-2-butanol (-)-buprenorphine (5alpha,6beta,14beta,18R)-17-(cyclopropylmethyl)-18-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol Buprenorphine 21-cyclopropyl-7alpha-[(S)-1-hydroxy-1,2,2-trimethylpropyl]-6,14-endo-ethano-6,7,8,14-tetrahydrooripavine 2-[3-cyclopropylmethyl-11-hydroxy-15-methoxy-(14R)-13-oxa-3-azahexacyclo[13.2.2.12,8.01,6.06,14.07,12]icosa-7,9,11-trien-16-yl]-3,3-dimethyl-2-butanol buprenorphine buprenorfina
xref	Drugs.com:http://www.drugs.com/cdi/buprenorphine.html ChEBI:3216 KEGG DRUG:D07132 ChEMBL:16650985 PubChem Substance:46505782 DrugBank:DB00921 PubChem Compound:40400 Wikipedia:http://en.wikipedia.org/wiki/Buprenorphine PharmGKB:PA448685 Beilstein:6182863 ChEMBL:17887741 Patent:GB1136214 RxList:http://www.rxlist.com/cgi/generic3/suboxone.htm ChEMBL:10649968 KEGG COMPOUND:C08007 CASRN:52485-79-7 National Drug Code Directory:12496-0757-1 Patent:US3433791
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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Mapping To	Ontology	Source
http://purl.obolibrary.org/obo/CHEBI_3216	DRON	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_3216	PDRO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_3216	FIDEO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_3216	HOIP	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_3216	BERO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_3216	DDSS	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_3216	TXPO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_3216	BIOMODELS	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_3216	CHEBI	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_3216	NIFSTD	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_3216	DRON	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_3216	DRON	LOOM
http://purl.obolibrary.org/obo/CHEBI_3216	PDRO	LOOM
http://purl.obolibrary.org/obo/CHEBI_3216	FIDEO	LOOM
http://purl.obolibrary.org/obo/CHEBI_3216	HOIP	LOOM
http://purl.obolibrary.org/obo/CHEBI_3216	BERO	LOOM
http://purl.obolibrary.org/obo/CHEBI_3216	DDSS	LOOM
http://purl.obolibrary.org/obo/CHEBI_3216	TXPO	LOOM
http://purl.obolibrary.org/obo/CHEBI_3216	BIOMODELS	LOOM
http://purl.obolibrary.org/obo/CHEBI_3216	CHEBI	LOOM
http://purl.obolibrary.org/obo/CHEBI_3216	NIFSTD	LOOM
http://purl.obolibrary.org/obo/CHEBI_3216	DRON	LOOM
http://purl.bioontology.org/ontology/LNC/MTHU006723	LOINC	LOOM
http://purl.bioontology.org/ontology/RCD/dj3..	RCD	LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0006405	OCHV	LOOM
http://purl.bioontology.org/ontology/VANDF/4019644	VANDF	LOOM
rgo:15197	GAMUTS	LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000147737	NDFRT	LOOM
http://purl.bioontology.org/ontology/MESH/D002047	MESH	LOOM
http://stirdf.jst.go.jp/id/200907021361079393	IOBC	LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#2227	OCHV	LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D03.605.497.150	RH-MESH	LOOM
https://go.drugbank.com/drugs/DB00921	MDM	LOOM
http://purl.jp/bio/4/id/200906075148978928	IOBC	LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C61656	NCIT	LOOM
http://purl.bioontology.org/ontology/ATC/N02AE01	ATC	LOOM
http://www.co-ode.org/ontologies/galen#Buprenorphine	GALEN	LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D03.132.577.249.150	RH-MESH	LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D04.615.723.795.150	RH-MESH	LOOM
http://purl.bioontology.org/ontology/LNC/LP16054-6	LOINC	LOOM
http://purl.bioontology.org/ontology/NDDF/004632	NDDF	LOOM
http://purl.obolibrary.org/obo/NCIT_C61656	BERO	LOOM
http://www.phoc.org.cn/pmo/class/PMO_00018022	PMAPP-PMO	LOOM
http://purl.bioontology.org/ontology/ATC/N07BC01	ATC	LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D002047	RH-MESH	LOOM
http://purl.bioontology.org/ontology/RXNORM/1819	RXNORM	LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/387173000	SNOMEDCT	LOOM
http://purl.obolibrary.org/obo/MESH_D002047	BERO	LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D03.549.686.150	RH-MESH	LOOM
http://purl.bioontology.org/ontology/SNMI/C-60A10	SNMI	LOOM
http://www.drugbank.ca/drugs/DB00921	FTC	LOOM
http://purl.bioontology.org/ontology/CSP/0092-7100	CRISP	LOOM
http://purl.bioontology.org/ontology/CPT/80348	CPT	LOOM
http://purl.obolibrary.org/obo/OMIT_0003396	OMIT	LOOM