The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

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Preferred Name	letrozole
Synonyms	Letrozol Letrozole 4-[(4-cyanophenyl)(1H-1,2,4-triazol-1-yl)methyl]benzonitrile C17H11N5 Femara 4,4'-(1H-1,2,4-triazol-1-ylmethanediyl)dibenzonitrile letrozole
ID	http://purl.obolibrary.org/obo/CHEBI_6413
AHFScode	10:00.00
ATCCode	L02BG04
blocks	http://purl.obolibrary.org/obo/dinto_3102
CASRN	112809-51-5
DBBrand	femara
DBname	letrozole
DBSynonym	letrozol
Definition	A triazole that has formula C17H11N5.
has effect	http://purl.obolibrary.org/obo/OAE_0000388 http://purl.obolibrary.org/obo/OAE_0000449 http://purl.obolibrary.org/obo/OAE_0000453 http://purl.obolibrary.org/obo/OAE_0001505 http://purl.obolibrary.org/obo/OAE_0000377 http://purl.obolibrary.org/obo/OAE_0000318 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_0001744 http://purl.obolibrary.org/obo/OAE_0000596 http://purl.obolibrary.org/obo/OAE_0000406 http://purl.obolibrary.org/obo/OAE_0001509 http://purl.obolibrary.org/obo/OAE_0000493 http://purl.obolibrary.org/obo/OAE_0001167 http://purl.obolibrary.org/obo/OAE_0000308 http://purl.obolibrary.org/obo/OAE_0001449 http://purl.obolibrary.org/obo/OAE_0001369 http://purl.obolibrary.org/obo/OAE_0000415 http://purl.obolibrary.org/obo/OAE_0000373 http://purl.obolibrary.org/obo/OAE_0000210 http://purl.obolibrary.org/obo/OAE_0000319 http://purl.obolibrary.org/obo/OAE_0000021 http://purl.obolibrary.org/obo/OAE_0000317 http://purl.obolibrary.org/obo/OAE_0000382 http://purl.obolibrary.org/obo/OAE_0001025 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_0000207 http://purl.obolibrary.org/obo/OAE_0000608 http://purl.obolibrary.org/obo/OAE_0000403 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_0001340 http://purl.obolibrary.org/obo/OAE_0000517 http://purl.obolibrary.org/obo/OAE_0000455 http://purl.obolibrary.org/obo/OAE_0001105 http://purl.obolibrary.org/obo/OAE_0000498 http://purl.obolibrary.org/obo/OAE_0000084 http://purl.obolibrary.org/obo/OAE_0000312 http://purl.obolibrary.org/obo/OAE_0001200 http://purl.obolibrary.org/obo/OAE_0001515 http://purl.obolibrary.org/obo/OAE_0001529 http://purl.obolibrary.org/obo/OAE_0000645 http://purl.obolibrary.org/obo/OAE_0001129 http://purl.obolibrary.org/obo/OAE_0000643 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_0000414 http://purl.obolibrary.org/obo/OAE_0000355 http://purl.obolibrary.org/obo/OAE_0000789 http://purl.obolibrary.org/obo/OAE_0000038 http://purl.obolibrary.org/obo/OAE_0001164 http://purl.obolibrary.org/obo/OAE_0000034 http://purl.obolibrary.org/obo/OAE_0002122 http://purl.obolibrary.org/obo/OAE_0000460 http://purl.obolibrary.org/obo/OAE_0000401 http://purl.obolibrary.org/obo/OAE_0000505 http://purl.obolibrary.org/obo/OAE_0000194 http://purl.obolibrary.org/obo/OAE_0001356 http://purl.obolibrary.org/obo/OAE_0000022 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_0000779 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_0000374 http://purl.obolibrary.org/obo/OAE_0000466 http://purl.obolibrary.org/obo/OAE_0001309 http://purl.obolibrary.org/obo/OAE_0000766 http://purl.obolibrary.org/obo/OAE_0000534 http://purl.obolibrary.org/obo/OAE_0001044 http://purl.obolibrary.org/obo/OAE_0000402 http://purl.obolibrary.org/obo/OAE_0001298
has pharmacological target	http://purl.obolibrary.org/obo/dinto_3102
has role	http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_50790
InChI	InChI=1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-12-20-11-21-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H
InChIKey	InChIKey=HPJKCIUCZWXJDR-UHFFFAOYSA-N
inhibits	http://purl.obolibrary.org/obo/dinto_3102 http://purl.obolibrary.org/obo/dinto_2496
is metabolised by	http://purl.obolibrary.org/obo/dinto_3102 http://purl.obolibrary.org/obo/dinto_0901 http://purl.obolibrary.org/obo/dinto_2496
label	letrozole
prefixIRI	obo2:CHEBI_6413
prefLabel	letrozole
SMILES	N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)n1cncn1 N#CC1=CC=C(C=C1)C(N1C=NC=N1)C1=CC=C(C=C1)C#N
Synonym	Letrozol Letrozole 4-[(4-cyanophenyl)(1H-1,2,4-triazol-1-yl)methyl]benzonitrile C17H11N5 Femara 4,4'-(1H-1,2,4-triazol-1-ylmethanediyl)dibenzonitrile letrozole
xref	Patent:EP236940 PharmGKB:PA450196 ChEBI:6413 DrugBank:DB01006 ChemSpider:3765 Drugs.com:http://www.drugs.com/cdi/letrozole.html PubChem Compound:3902 Wikipedia:http://en.wikipedia.org/wiki/Letrozole ChEMBL:474548 Wikipedia:Letrozole Drugs Product Database (DPD):2231384 BindingDB:13061 KEGG COMPOUND:C08163 PubChem Substance:46504610 CASRN:112809-51-5 Beilstein:6813913 RxList:http://www.rxlist.com/cgi/generic2/letroz.htm KEGG DRUG:D00964 Patent:US4978672
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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Mapping To	Ontology	Source
http://purl.obolibrary.org/obo/CHEBI_6413	CHEBI	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_6413	PDRO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_6413	BERO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_6413	BIOMODELS	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_6413	DRON	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_6413	NIFSTD	SAME_URI
http://purl.obolibrary.org/obo/XCO_0001327	XCO	LOOM
http://purl.obolibrary.org/obo/CHEBI_6413	CHEBI	LOOM
http://purl.bioontology.org/ontology/MESH/D000077289	MESH	LOOM
http://www.phoc.org.cn/pmo/class/PMO_00026175	PMAPP-PMO	LOOM
http://purl.bioontology.org/ontology/PDQ/CDR0000042086	PDQ	LOOM
http://www.drugbank.ca/drugs/DB01006	FTC	LOOM
http://purl.obolibrary.org/obo/NCIT_C1527	BERO	LOOM
http://purl.bioontology.org/ontology/NDDF/006298	NDDF	LOOM
https://go.drugbank.com/drugs/DB01006	MDM	LOOM
http://purl.jp/bio/4/id/200906050381941110	IOBC	LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#C067431	RH-MESH	LOOM
http://www.co-ode.org/ontologies/galen#Letrozole	GALEN	LOOM
http://purl.bioontology.org/ontology/RCD/heE..	RCD	LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000148513	NDFRT	LOOM
http://purl.bioontology.org/ontology/ATC/L02BG04	ATC	LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#25142	OCHV	LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0246421	OCHV	LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C1527	NCIT	LOOM
http://purl.obolibrary.org/obo/CHEBI_6413	PDRO	LOOM
http://purl.obolibrary.org/obo/CHEBI_6413	BERO	LOOM
http://purl.obolibrary.org/obo/CHEBI_6413	BIOMODELS	LOOM
http://purl.obolibrary.org/obo/CHEBI_6413	DRON	LOOM
http://purl.obolibrary.org/obo/CHEBI_6413	NIFSTD	LOOM
http://stirdf.jst.go.jp/id/200907081310334197	IOBC	LOOM
http://www.semanticweb.org/administrator/ontologies/2022/0/untitled-ontology-34#OWLClass731d61fb_cd1b_4ae6_b7cc_326a9444e994	WWECA	LOOM
http://purl.bioontology.org/ontology/RXNORM/72965	NLMVS	LOOM
http://purl.bioontology.org/ontology/RXNORM/72965	RXNORM	LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/386911004	SNOMEDCT	LOOM
http://purl.bioontology.org/ontology/VANDF/4021049	VANDF	LOOM