The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

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Preferred Name	sirolimus
Synonyms	sirolimusum (-)-Rapamycin (3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-9,27-dihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-hexadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentone sirolimus C51H79NO13 (1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-{(2S)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.0(4,9)]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone Sirolimus rapamycin (1R,9S,12S,15R,18R,19R,21R,23S,30S,32S,35R)-1,18-dihydroxy-12-[(2S)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.0^{4,9}]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone Rapamune Antibiotic AY 22989
ID	http://purl.obolibrary.org/obo/CHEBI_9168
AHFScode	92:00.00
altId	CHEBI:67812
ATCCode	L04AA10
CASRN	53123-88-9
DBBrand	rapamune
DBname	sirolimus
DBSynonym	(-)-rapamycin rapamycin
Definition	A macrolide isolated from Streptomyces hygroscopicus consisting of a 29-membered ring containing 4 trans double bonds, three of which are conjugated. It is an antibiotic, immunosupressive and antineoplastic agent.
has effect	http://purl.obolibrary.org/obo/OAE_0000388 http://purl.obolibrary.org/obo/OAE_0000496 http://purl.obolibrary.org/obo/OAE_0000424 http://purl.obolibrary.org/obo/OAE_0001059 http://purl.obolibrary.org/obo/OAE_0000497 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_0000573 http://purl.obolibrary.org/obo/OAE_0000604 http://purl.obolibrary.org/obo/OAE_0001505 http://purl.obolibrary.org/obo/OAE_0000377 http://purl.obolibrary.org/obo/OAE_0000902 http://purl.obolibrary.org/obo/OAE_0001259 http://purl.obolibrary.org/obo/OAE_0000391 http://purl.obolibrary.org/obo/OAE_0000630 http://purl.obolibrary.org/obo/OAE_0000659 http://purl.obolibrary.org/obo/OAE_0000617 http://purl.obolibrary.org/obo/OAE_0001744 http://purl.obolibrary.org/obo/OAE_0000406 http://purl.obolibrary.org/obo/OAE_0000561 http://purl.obolibrary.org/obo/OAE_0001046 http://purl.obolibrary.org/obo/OAE_0000411 http://purl.obolibrary.org/obo/OAE_0001186 http://purl.obolibrary.org/obo/OAE_0000921 http://purl.obolibrary.org/obo/OAE_0000512 http://purl.obolibrary.org/obo/OAE_0001253 http://purl.obolibrary.org/obo/OAE_0001489 http://purl.obolibrary.org/obo/OAE_0000611 http://purl.obolibrary.org/obo/OAE_0001449 http://purl.obolibrary.org/obo/OAE_0000567 http://purl.obolibrary.org/obo/OAE_0000195 http://purl.obolibrary.org/obo/OAE_0000545 http://purl.obolibrary.org/obo/OAE_0000373 http://purl.obolibrary.org/obo/OAE_0000418 http://purl.obolibrary.org/obo/OAE_0001013 http://purl.obolibrary.org/obo/OAE_0001421 http://purl.obolibrary.org/obo/OAE_0000319 http://purl.obolibrary.org/obo/OAE_0001012 http://purl.obolibrary.org/obo/OAE_0001448 http://purl.obolibrary.org/obo/OAE_0000317 http://purl.obolibrary.org/obo/OAE_0001095 http://purl.obolibrary.org/obo/OAE_0000197 http://purl.obolibrary.org/obo/OAE_0000382 http://purl.obolibrary.org/obo/OAE_0000250 http://purl.obolibrary.org/obo/OAE_0001073 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_0000984 http://purl.obolibrary.org/obo/OAE_0001450 http://purl.obolibrary.org/obo/OAE_0000207 http://purl.obolibrary.org/obo/OAE_0000608 http://purl.obolibrary.org/obo/OAE_0000403 http://purl.obolibrary.org/obo/OAE_0001053 http://purl.obolibrary.org/obo/OAE_0000861 http://purl.obolibrary.org/obo/OAE_0000612 http://purl.obolibrary.org/obo/OAE_0000340 http://purl.obolibrary.org/obo/OAE_0001055 http://purl.obolibrary.org/obo/OAE_0000454 http://purl.obolibrary.org/obo/OAE_0001042 http://purl.obolibrary.org/obo/OAE_0000632 http://purl.obolibrary.org/obo/OAE_0000601 http://purl.obolibrary.org/obo/OAE_0001463 http://purl.obolibrary.org/obo/OAE_0000375 http://purl.obolibrary.org/obo/OAE_0000300 http://purl.obolibrary.org/obo/OAE_0001340 http://purl.obolibrary.org/obo/OAE_0000551 http://purl.obolibrary.org/obo/OAE_0001062 http://purl.obolibrary.org/obo/OAE_0000691 http://purl.obolibrary.org/obo/OAE_0001275 http://purl.obolibrary.org/obo/OAE_0001234 http://purl.obolibrary.org/obo/OAE_0001078 http://purl.obolibrary.org/obo/OAE_0000498 http://purl.obolibrary.org/obo/OAE_0001057 http://purl.obolibrary.org/obo/OAE_0000434 http://purl.obolibrary.org/obo/OAE_0001243 http://purl.obolibrary.org/obo/OAE_0001515 http://purl.obolibrary.org/obo/OAE_0001190 http://purl.obolibrary.org/obo/OAE_0001070 http://purl.obolibrary.org/obo/OAE_0001068 http://purl.obolibrary.org/obo/OAE_0001529 http://purl.obolibrary.org/obo/OAE_0000400 http://purl.obolibrary.org/obo/OAE_0000086 http://purl.obolibrary.org/obo/OAE_0001341 http://purl.obolibrary.org/obo/OAE_0000584 http://purl.obolibrary.org/obo/OAE_0001129 http://purl.obolibrary.org/obo/OAE_0001153 http://purl.obolibrary.org/obo/OAE_0002206 http://purl.obolibrary.org/obo/OAE_0000533 http://purl.obolibrary.org/obo/OAE_0000674 http://purl.obolibrary.org/obo/OAE_0000243 http://purl.obolibrary.org/obo/OAE_0000473 http://purl.obolibrary.org/obo/OAE_0001281 http://purl.obolibrary.org/obo/OAE_0000414 http://purl.obolibrary.org/obo/OAE_0000607 http://purl.obolibrary.org/obo/OAE_0000857 http://purl.obolibrary.org/obo/OAE_0000469 http://purl.obolibrary.org/obo/OAE_0000355 http://purl.obolibrary.org/obo/OAE_0000789 http://purl.obolibrary.org/obo/OAE_0000968 http://purl.obolibrary.org/obo/OAE_0000166 http://purl.obolibrary.org/obo/OAE_0001202 http://purl.obolibrary.org/obo/OAE_0000495 http://purl.obolibrary.org/obo/OAE_0000866 http://purl.obolibrary.org/obo/OAE_0000508 http://purl.obolibrary.org/obo/OAE_0000401 http://purl.obolibrary.org/obo/OAE_0000917 http://purl.obolibrary.org/obo/OAE_0000780 http://purl.obolibrary.org/obo/OAE_0000343 http://purl.obolibrary.org/obo/OAE_0000536 http://purl.obolibrary.org/obo/OAE_0001209 http://purl.obolibrary.org/obo/OAE_0000647 http://purl.obolibrary.org/obo/OAE_0001205 http://purl.obolibrary.org/obo/OAE_0000385 http://purl.obolibrary.org/obo/OAE_0000185 http://purl.obolibrary.org/obo/OAE_0000602 http://purl.obolibrary.org/obo/OAE_0000487 http://purl.obolibrary.org/obo/OAE_0000516 http://purl.obolibrary.org/obo/OAE_0001147 http://purl.obolibrary.org/obo/OAE_0000779 http://purl.obolibrary.org/obo/OAE_0001052 http://purl.obolibrary.org/obo/OAE_0000701 http://purl.obolibrary.org/obo/OAE_0001217 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_0001030 http://purl.obolibrary.org/obo/OAE_0001128 http://purl.obolibrary.org/obo/OAE_0000565 http://purl.obolibrary.org/obo/OAE_0001345 http://purl.obolibrary.org/obo/OAE_0000501 http://purl.obolibrary.org/obo/OAE_0000374 http://purl.obolibrary.org/obo/OAE_0000394 http://purl.obolibrary.org/obo/OAE_0000211 http://purl.obolibrary.org/obo/OAE_0000462 http://purl.obolibrary.org/obo/OAE_0000358 http://purl.obolibrary.org/obo/OAE_0001309 http://purl.obolibrary.org/obo/OAE_0001170 http://purl.obolibrary.org/obo/OAE_0000618 http://purl.obolibrary.org/obo/OAE_0000488 http://purl.obolibrary.org/obo/OAE_0000456 http://purl.obolibrary.org/obo/OAE_0001044 http://purl.obolibrary.org/obo/OAE_0000480 http://purl.obolibrary.org/obo/OAE_0000402 http://purl.obolibrary.org/obo/OAE_0001298 http://purl.obolibrary.org/obo/OAE_0000350 http://purl.obolibrary.org/obo/OAE_0000304
has pharmacological target	http://purl.obolibrary.org/obo/dinto_3081 http://purl.obolibrary.org/obo/dinto_1790 http://purl.obolibrary.org/obo/dinto_3513
has role	http://purl.obolibrary.org/obo/CHEBI_35705 http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_68481 http://purl.obolibrary.org/obo/CHEBI_22582 http://purl.obolibrary.org/obo/CHEBI_36047 http://purl.obolibrary.org/obo/CHEBI_35718
InChI	InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33+,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1 InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1
InChIKey	InChIKey=QFJCIRLUMZQUOT-HPLJOQBZSA-N InChIKey=QFJCIRLUMZQUOT-KLHQEZAJSA-N
induces	http://purl.obolibrary.org/obo/dinto_1440
inhibits	http://purl.obolibrary.org/obo/dinto_3081 http://purl.obolibrary.org/obo/dinto_2019 http://purl.obolibrary.org/obo/dinto_0901 http://purl.obolibrary.org/obo/dinto_1440
is metabolised by	http://purl.obolibrary.org/obo/dinto_2990 http://purl.obolibrary.org/obo/dinto_0901 http://purl.obolibrary.org/obo/dinto_1956
label	sirolimus
may interact with	http://purl.obolibrary.org/obo/dinto_DB00519 http://purl.obolibrary.org/obo/CHEBI_8107 http://purl.obolibrary.org/obo/CHEBI_68621 http://purl.obolibrary.org/obo/CHEBI_37924 http://purl.obolibrary.org/obo/CHEBI_101278 http://purl.obolibrary.org/obo/CHEBI_4031 http://purl.obolibrary.org/obo/CHEBI_61049 http://purl.obolibrary.org/obo/dinto_DB04855 http://purl.obolibrary.org/obo/dinto_DB01167 http://purl.obolibrary.org/obo/dinto_DB00582 http://purl.obolibrary.org/obo/dinto_DB06372 http://purl.obolibrary.org/obo/CHEBI_3732 http://purl.obolibrary.org/obo/CHEBI_45367 http://purl.obolibrary.org/obo/CHEBI_63628 http://purl.obolibrary.org/obo/dinto_DB00199 http://purl.obolibrary.org/obo/dinto_DB00072 http://purl.obolibrary.org/obo/dinto_DB01320 http://purl.obolibrary.org/obo/dinto_DB01026 http://purl.obolibrary.org/obo/CHEBI_28077 http://purl.obolibrary.org/obo/dinto_DB00976
prefixIRI	obo2:CHEBI_9168
prefLabel	sirolimus
related with	http://purl.obolibrary.org/obo/dinto_1812 http://purl.obolibrary.org/obo/dinto_1790 http://purl.obolibrary.org/obo/dinto_3513
SMILES	[H][C@@]1(C[C@H](C)[C@]2([H])CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@]3([H])CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@@]3([H])C(=O)O2)OC)CC[C@@H](O)[C@@H](C1)OC [H][C@]1(CC[C@@H](O)[C@@H](C1)OC)C[C@@H](C)[C@]1([H])CC(=O)[C@H](C)\\C=C(C)\\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\\C=C\\C=C\\C=C(C)\\[C@H](C[C@]2([H])CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@@]2([H])C(=O)O1)OC
Synonym	sirolimusum (-)-Rapamycin (3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-9,27-dihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-hexadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentone sirolimus C51H79NO13 (1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-{(2S)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.0(4,9)]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone Sirolimus rapamycin (1R,9S,12S,15R,18R,19R,21R,23S,30S,32S,35R)-1,18-dihydroxy-12-[(2S)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.0^{4,9}]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone Rapamune Antibiotic AY 22989
xref	KEGG COMPOUND:C07909 DrugBank:DB00877 ChEMBL:100923 Wikipedia:http://en.wikipedia.org/wiki/Sirolimus CASRN:53123-88-9 KEGG DRUG:D00753 BindingDB:50240955 PDB:ARD Drugs.com:http://www.drugs.com/cdi/sirolimus.html Wikipedia:Rapamycin Reaxys:5848501 CiteXplore:22981852 RxList:http://www.rxlist.com/cgi/generic2/sirolimus.htm LIPID MAPS:LMPK06000003 CiteXplore:22960739 ChEBI:9168 HMDB:HMDB15015 PharmGKB:PA451365 CiteXplore:22984623 Drugs Product Database (DPD):2243237
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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Mapping To	Ontology	Source
http://purl.obolibrary.org/obo/CHEBI_9168	EFO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_9168	FYPO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_9168	GO-PLUS	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_9168	PHIPO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_9168	CHEBI	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_9168	PDRO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_9168	FIDEO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_9168	INBANCIDO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_9168	COVID-19	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_9168	BERO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_9168	BIOMODELS	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_9168	DRON	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_9168	CIDO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_9168	EFO	LOOM
http://purl.obolibrary.org/obo/CHEBI_9168	FYPO	LOOM
http://purl.obolibrary.org/obo/CHEBI_9168	GO-PLUS	LOOM
http://purl.obolibrary.org/obo/CHEBI_9168	PHIPO	LOOM
http://purl.obolibrary.org/obo/CHEBI_9168	CHEBI	LOOM
http://purl.obolibrary.org/obo/DRON_00013476	INBANCIDO	LOOM
http://purl.obolibrary.org/obo/DRON_00013476	CIDO	LOOM
http://purl.obolibrary.org/obo/DRON_00013476	ODNAE	LOOM
http://purl.bioontology.org/ontology/LNC/LP21368-3	LOINC	LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000148624	NDFRT	LOOM
http://purl.bioontology.org/ontology/MESH/D020123	MESH	LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/387014003	SNOMEDCT	LOOM
http://evs.nci.nih.gov/ftp1/NDF-RT/NDF-RT.owl#N0000148624	ODAE	LOOM
http://purl.bioontology.org/ontology/RXNORM/35302	RXNORM	LOOM
http://www.drugbank.ca/drugs/DB00877	FTC	LOOM
http://purl.bioontology.org/ontology/ATC/L01EG04	ATC	LOOM
http://www.semanticweb.org/osnathakimi/ontologies/deb#Sirolimus	DEB	LOOM
http://purl.obolibrary.org/obo/OMIT_0020049	OMIT	LOOM
http://purl.bioontology.org/ontology/ATC/L04AA10	ATC	LOOM
http://purl.bioontology.org/ontology/CSP/4005-0055	CRISP	LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D020123	RH-MESH	LOOM
http://purl.obolibrary.org/obo/MESH_D020123	BERO	LOOM
http://purl.bioontology.org/ontology/VANDF/4021176	VANDF	LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D02.540.505.760	RH-MESH	LOOM
http://purl.bioontology.org/ontology/ATC/S01XA23	ATC	LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0072980	OCHV	LOOM
http://www.phoc.org.cn/pmo/class/PMO_00017172	PMAPP-PMO	LOOM
http://bmi.utah.edu/ontologies/hfontology/C0072980	HFO	LOOM
http://purl.bioontology.org/ontology/LNC/LA31622-6	LOINC	LOOM
http://purl.bioontology.org/ontology/PDQ/CDR0000042555	PDQ	LOOM
http://purl.bioontology.org/ontology/LNC/MTHU013897	LOINC	LOOM
http://purl.obolibrary.org/obo/CHEBI_9168	PDRO	LOOM
http://purl.obolibrary.org/obo/CHEBI_9168	FIDEO	LOOM
http://purl.obolibrary.org/obo/CHEBI_9168	INBANCIDO	LOOM
http://purl.obolibrary.org/obo/CHEBI_9168	COVID-19	LOOM
http://purl.obolibrary.org/obo/CHEBI_9168	BERO	LOOM
http://purl.obolibrary.org/obo/CHEBI_9168	DRON	LOOM
http://purl.obolibrary.org/obo/CHEBI_9168	CIDO	LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#14738	OCHV	LOOM
http://purl.obolibrary.org/obo/NCIT_C1212	BERO	LOOM
https://go.drugbank.com/drugs/DB00877	MDM	LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C1212	NCIT	LOOM
http://purl.bioontology.org/ontology/NDDF/007885	NDDF	LOOM
http://purl.bioontology.org/ontology/CPT/80195	CPT	LOOM