The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

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Preferred Name	paricalcitol
Synonyms	(1R,3R)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R,3E,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}cyclohexane-1,3-diol C27H44O3 19-Nor-1alpha,25-dihydroxyvitamin D2 paricalcitol Paricalcitol Zemplar (1R,3R,7E)-17beta-[(2R,3E,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-9,10-secoestra-5,7-diene-1,3-diol
ID	http://purl.obolibrary.org/obo/CHEBI_7931
activates	http://purl.obolibrary.org/obo/dinto_2847
AHFScode	88:16.00
ATCCode	H05BX02
binds	http://purl.obolibrary.org/obo/dinto_2847 http://purl.obolibrary.org/obo/dinto_3952 http://purl.obolibrary.org/obo/dinto_0901 http://purl.obolibrary.org/obo/dinto_0270
CASRN	131918-61-1
DBBrand	zemplar
DBname	paricalcitol
Definition	A seco-cholestane that has formula C27H44O3.
has effect	http://purl.obolibrary.org/obo/OAE_0000388 http://purl.obolibrary.org/obo/OAE_0000395 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_0000303 http://purl.obolibrary.org/obo/OAE_0000377 http://purl.obolibrary.org/obo/OAE_0000391 http://purl.obolibrary.org/obo/OAE_0000839 http://purl.obolibrary.org/obo/OAE_0000376 http://purl.obolibrary.org/obo/OAE_0000198 http://purl.obolibrary.org/obo/OAE_0000406 http://purl.obolibrary.org/obo/OAE_0000561 http://purl.obolibrary.org/obo/OAE_0000301 http://purl.obolibrary.org/obo/OAE_0001046 http://purl.obolibrary.org/obo/OAE_0000825 http://purl.obolibrary.org/obo/OAE_0000807 http://purl.obolibrary.org/obo/OAE_0000411 http://purl.obolibrary.org/obo/OAE_0000443 http://purl.obolibrary.org/obo/OAE_0000921 http://purl.obolibrary.org/obo/OAE_0000308 http://purl.obolibrary.org/obo/OAE_0001360 http://purl.obolibrary.org/obo/OAE_0000415 http://purl.obolibrary.org/obo/OAE_0000195 http://purl.obolibrary.org/obo/OAE_0000373 http://purl.obolibrary.org/obo/OAE_0000319 http://purl.obolibrary.org/obo/OAE_0000465 http://purl.obolibrary.org/obo/OAE_0000317 http://purl.obolibrary.org/obo/OAE_0000660 http://purl.obolibrary.org/obo/OAE_0000382 http://purl.obolibrary.org/obo/OAE_0000250 http://purl.obolibrary.org/obo/OAE_0000762 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_0000945 http://purl.obolibrary.org/obo/OAE_0000403 http://purl.obolibrary.org/obo/OAE_0001055 http://purl.obolibrary.org/obo/OAE_0000632 http://purl.obolibrary.org/obo/OAE_0000601 http://purl.obolibrary.org/obo/OAE_0000375 http://purl.obolibrary.org/obo/OAE_0000386 http://purl.obolibrary.org/obo/OAE_0000551 http://purl.obolibrary.org/obo/OAE_0000517 http://purl.obolibrary.org/obo/OAE_0000455 http://purl.obolibrary.org/obo/OAE_0000802 http://purl.obolibrary.org/obo/OAE_0000084 http://purl.obolibrary.org/obo/OAE_0000400 http://purl.obolibrary.org/obo/OAE_0000510 http://purl.obolibrary.org/obo/OAE_0000584 http://purl.obolibrary.org/obo/OAE_0001129 http://purl.obolibrary.org/obo/OAE_0002206 http://purl.obolibrary.org/obo/OAE_0000533 http://purl.obolibrary.org/obo/OAE_0001453 http://purl.obolibrary.org/obo/OAE_0000414 http://purl.obolibrary.org/obo/OAE_0001164 http://purl.obolibrary.org/obo/OAE_0000968 http://purl.obolibrary.org/obo/OAE_0000034 http://purl.obolibrary.org/obo/OAE_0001499 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_0000647 http://purl.obolibrary.org/obo/OAE_0000505 http://purl.obolibrary.org/obo/OAE_0001336 http://purl.obolibrary.org/obo/OAE_0001205 http://purl.obolibrary.org/obo/OAE_0000385 http://purl.obolibrary.org/obo/OAE_0000602 http://purl.obolibrary.org/obo/OAE_0000336 http://purl.obolibrary.org/obo/OAE_0001147 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_0001345 http://purl.obolibrary.org/obo/OAE_0000374 http://purl.obolibrary.org/obo/OAE_0000394 http://purl.obolibrary.org/obo/OAE_0000242 http://purl.obolibrary.org/obo/OAE_0000358 http://purl.obolibrary.org/obo/OAE_0000766 http://purl.obolibrary.org/obo/OAE_0000618 http://purl.obolibrary.org/obo/OAE_0000534 http://purl.obolibrary.org/obo/OAE_0000402
has pharmacological target	http://purl.obolibrary.org/obo/dinto_2847
has role	http://purl.obolibrary.org/obo/CHEBI_50827
InChI	InChI=1S/C27H44O3/c1-18(8-9-19(2)26(3,4)30)24-12-13-25-21(7-6-14-27(24,25)5)11-10-20-15-22(28)17-23(29)16-20/h8-11,18-19,22-25,28-30H,6-7,12-17H2,1-5H3/b9-8+,21-11+/t18-,19+,22-,23-,24-,25+,27-/m1/s1
InChIKey	InChIKey=BPKAHTKRCLCHEA-UBFJEZKGSA-N
is metabolised by	http://purl.obolibrary.org/obo/dinto_3952 http://purl.obolibrary.org/obo/dinto_0901 http://purl.obolibrary.org/obo/dinto_0270
is substrate of	http://purl.obolibrary.org/obo/dinto_3952 http://purl.obolibrary.org/obo/dinto_0901 http://purl.obolibrary.org/obo/dinto_0270
label	paricalcitol
may interact with	http://purl.obolibrary.org/obo/dinto_DB00169 http://purl.obolibrary.org/obo/CHEBI_59594
modulates	http://purl.obolibrary.org/obo/dinto_2847
prefixIRI	obo2:CHEBI_7931
prefLabel	paricalcitol
SMILES	[H][C@@]1(CC[C@]2([H])[C@]1(C)CCC\\C2=C/C=C1C[C@@H](O)C[C@H](O)C1)[C@H](C)\\C=C\\[C@H](C)C(C)(C)O [H]C1CC[C@]2(C)[C@]([H])(CC[C@@]2([H])\C1=C\C=C1C[C@@H](O)C[C@H](O)C1)[C@H](C)\C=C\[C@H](C)C(O)(C)C
Synonym	(1R,3R)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R,3E,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}cyclohexane-1,3-diol C27H44O3 19-Nor-1alpha,25-dihydroxyvitamin D2 paricalcitol Paricalcitol Zemplar (1R,3R,7E)-17beta-[(2R,3E,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-9,10-secoestra-5,7-diene-1,3-diol
xref	Patent:US5587497 Patent:EP387077 PubChem Substance:46505780 KEGG COMPOUND:C08127 KEGG DRUG:D00930 DrugBank:DB00910 CASRN:131918-61-1 Drugs.com:http://www.drugs.com/cdi/paricalcitol.html Drugs Product Database (DPD):2266202 National Drug Code Directory:0074-4637-01 ChemSpider:4444552 ChEBI:7931 PharmGKB:PA450798 RxList:http://www.rxlist.com/cgi/generic4/zemplar_caps.htm ChEMBL:774573 PubChem Compound:5281104 Wikipedia:Paricalcitol
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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Mapping To	Ontology	Source
http://purl.obolibrary.org/obo/CHEBI_7931	CHEBI	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_7931	CHEBI	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_7931	PDRO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_7931	FIDEO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_7931	BERO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_7931	BIOMODELS	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_7931	DRON	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_7931	NIFSTD	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_7931	CHEBI	LOOM
http://purl.obolibrary.org/obo/CHEBI_7931	CHEBI	LOOM
http://purl.obolibrary.org/obo/XCO_0000547	XCO	LOOM
http://purl.obolibrary.org/obo/CHEBI_7931	PDRO	LOOM
http://purl.obolibrary.org/obo/CHEBI_7931	FIDEO	LOOM
http://purl.obolibrary.org/obo/CHEBI_7931	BERO	LOOM
http://purl.obolibrary.org/obo/CHEBI_7931	BIOMODELS	LOOM
http://purl.obolibrary.org/obo/CHEBI_7931	DRON	LOOM
http://purl.obolibrary.org/obo/CHEBI_7931	NIFSTD	LOOM
http://purl.bioontology.org/ontology/RXNORM/73710	RXNORM	LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#25162	OCHV	LOOM
https://go.drugbank.com/drugs/DB00910	MDM	LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#C084656	RH-MESH	LOOM
http://purl.bioontology.org/ontology/PDQ/CDR0000315740	PDQ	LOOM
http://www.phoc.org.cn/pmo/class/PMO_00025898	PMAPP-PMO	LOOM
http://purl.obolibrary.org/obo/NCIT_C38693	BERO	LOOM
http://www.drugbank.ca/drugs/DB00910	FTC	LOOM
http://purl.bioontology.org/ontology/NDDF/007498	NDDF	LOOM
http://purl.bioontology.org/ontology/MESH/C084656	MESH	LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000148562	NDFRT	LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C38693	NCIT	LOOM
http://purl.bioontology.org/ontology/ATC/H05BX02	ATC	LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0249582	OCHV	LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/108946001	SNOMEDCT	LOOM
http://purl.bioontology.org/ontology/VANDF/4021107	VANDF	LOOM