The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

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Preferred Name	lumefantrine
Synonyms	2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-(4-chlorobenzylidene)-9H-fluoren-4-yl]ethanol 2-Dibutylamino-1-{2,7-dichloro-9-[1-(4-chloro-phenyl)-meth-(Z)-ylidene]-9H-fluoren-4-yl}-ethanol Lumefantrine 2-Dibutylamino-1-[2,7-dichloro-9-(4-chloro-benzylidene)-9H-fluoren-4-yl]-ethanol 2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]-9H-fluoren-4-yl]ethan-1-ol (+-)-2,7-Dichloro-9-((Z)-p-chlorobenzylidene)-alpha-((dibutylamino)methyl)fluorene-4-methanol dl-Benflumelol Benflumetol C30H32Cl3NO
ID	http://purl.obolibrary.org/obo/CHEBI_156095
AHFScode	8:30.08
ATCCode	P01BF01
CASRN	82186-77-4
DBname	lumefantrine
DBSynonym	benflumetol
Definition	Lumefantrine is an antimalarial drug used in combination with artemether for the treatment of multi-drug resistant strains of falciparum malaria.
has role	http://purl.obolibrary.org/obo/CHEBI_38068
InChI	InChI=1S/C30H32Cl3NO/c1-3-5-13-34(14-6-4-2)19-29(35)28-18-23(33)17-27-25(15-20-7-9-21(31)10-8-20)26-16-22(32)11-12-24(26)30(27)28/h7-12,15-18,29,35H,3-6,13-14,19H2,1-2H3/b25-15-
InChIKey	InChIKey=DYLGFOYVTXJFJP-MYYYXRDXSA-N
inhibits	http://purl.obolibrary.org/obo/dinto_2993
is metabolised by	http://purl.obolibrary.org/obo/dinto_0901
label	lumefantrine
may interact with	http://purl.obolibrary.org/obo/CHEBI_8212 http://purl.obolibrary.org/obo/CHEBI_71219 http://purl.obolibrary.org/obo/dinto_DB00556 http://purl.obolibrary.org/obo/CHEBI_36791 http://purl.obolibrary.org/obo/CHEBI_41774 http://purl.obolibrary.org/obo/dinto_DB01142 http://purl.obolibrary.org/obo/CHEBI_6838 http://purl.obolibrary.org/obo/CHEBI_127780 http://purl.obolibrary.org/obo/dinto_DB00243 http://purl.obolibrary.org/obo/CHEBI_3647 http://purl.obolibrary.org/obo/CHEBI_8707 http://purl.obolibrary.org/obo/dinto_DB00196 http://purl.obolibrary.org/obo/CHEBI_2955 http://purl.obolibrary.org/obo/dinto_DB00344 http://purl.obolibrary.org/obo/dinto_DB00540 http://purl.obolibrary.org/obo/CHEBI_63611 http://purl.obolibrary.org/obo/CHEBI_71253 http://purl.obolibrary.org/obo/CHEBI_8871 http://purl.obolibrary.org/obo/CHEBI_47499 http://purl.obolibrary.org/obo/CHEBI_61049 http://purl.obolibrary.org/obo/dinto_DB00726 http://purl.obolibrary.org/obo/CHEBI_5613 http://purl.obolibrary.org/obo/dinto_DB04855 http://purl.obolibrary.org/obo/dinto_DB00104 http://purl.obolibrary.org/obo/CHEBI_63609 http://purl.obolibrary.org/obo/CHEBI_63622 http://purl.obolibrary.org/obo/CHEBI_48538 http://purl.obolibrary.org/obo/CHEBI_49603 http://purl.obolibrary.org/obo/CHEBI_6780 http://purl.obolibrary.org/obo/CHEBI_45081 http://purl.obolibrary.org/obo/CHEBI_9566 http://purl.obolibrary.org/obo/CHEBI_4325 http://purl.obolibrary.org/obo/CHEBI_51364 http://purl.obolibrary.org/obo/CHEBI_4717 http://purl.obolibrary.org/obo/CHEBI_5893 http://purl.obolibrary.org/obo/dinto_DB00270 http://purl.obolibrary.org/obo/CHEBI_63598 http://purl.obolibrary.org/obo/CHEBI_8455 http://purl.obolibrary.org/obo/CHEBI_75984 http://purl.obolibrary.org/obo/CHEBI_5121 http://purl.obolibrary.org/obo/dinto_DB00582 http://purl.obolibrary.org/obo/dinto_DB00308 http://purl.obolibrary.org/obo/CHEBI_10119 http://purl.obolibrary.org/obo/CHEBI_52172 http://purl.obolibrary.org/obo/CHEBI_8673 http://purl.obolibrary.org/obo/CHEBI_100246 http://purl.obolibrary.org/obo/CHEBI_30621 http://purl.obolibrary.org/obo/CHEBI_3638 http://purl.obolibrary.org/obo/CHEBI_9635 http://purl.obolibrary.org/obo/CHEBI_8466 http://purl.obolibrary.org/obo/CHEBI_3720 http://purl.obolibrary.org/obo/CHEBI_3723 http://purl.obolibrary.org/obo/dinto_DB06705 http://purl.obolibrary.org/obo/CHEBI_5801 http://purl.obolibrary.org/obo/CHEBI_50841 http://purl.obolibrary.org/obo/CHEBI_6807 http://purl.obolibrary.org/obo/dinto_DB06703 http://purl.obolibrary.org/obo/CHEBI_9467 http://purl.obolibrary.org/obo/CHEBI_65173 http://purl.obolibrary.org/obo/CHEBI_45716 http://purl.obolibrary.org/obo/CHEBI_28593 http://purl.obolibrary.org/obo/dinto_DB01118 http://purl.obolibrary.org/obo/dinto_DB00199 http://purl.obolibrary.org/obo/CHEBI_3061 http://purl.obolibrary.org/obo/CHEBI_15854 http://purl.obolibrary.org/obo/dinto_DB01218 http://purl.obolibrary.org/obo/CHEBI_8427 http://purl.obolibrary.org/obo/CHEBI_8428 http://purl.obolibrary.org/obo/CHEBI_71226 http://purl.obolibrary.org/obo/CHEBI_8405 http://purl.obolibrary.org/obo/dinto_DB01208 http://purl.obolibrary.org/obo/CHEBI_38940 http://purl.obolibrary.org/obo/dinto_DB00934 http://purl.obolibrary.org/obo/dinto_DB01623 http://purl.obolibrary.org/obo/CHEBI_2675 http://purl.obolibrary.org/obo/dinto_DB00976 http://purl.obolibrary.org/obo/CHEBI_2666 http://purl.obolibrary.org/obo/CHEBI_5118
prefixIRI	obo2:CHEBI_156095
prefLabel	lumefantrine
SMILES	CCCCN(CCCC)CC(O)c1cc(Cl)cc2\\C(=C/c3ccc(Cl)cc3)c3cc(Cl)ccc3-c12 CCCCN(CCCC)CC(O)C1=C2C(=CC(Cl)=C1)\C(=C/C1=CC=C(Cl)C=C1)C1=C2C=CC(Cl)=C1
Synonym	2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-(4-chlorobenzylidene)-9H-fluoren-4-yl]ethanol 2-Dibutylamino-1-{2,7-dichloro-9-[1-(4-chloro-phenyl)-meth-(Z)-ylidene]-9H-fluoren-4-yl}-ethanol Lumefantrine 2-Dibutylamino-1-[2,7-dichloro-9-(4-chloro-benzylidene)-9H-fluoren-4-yl]-ethanol 2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]-9H-fluoren-4-yl]ethan-1-ol (+-)-2,7-Dichloro-9-((Z)-p-chlorobenzylidene)-alpha-((dibutylamino)methyl)fluorene-4-methanol dl-Benflumelol Benflumetol C30H32Cl3NO
xref	ChEBI:156095 KEGG DRUG:D03821 ChEMBL:12699750 CASRN:82186-77-4 ChEMBL:12565929 Drugs.com:http://www.drugs.com/pro/coartem.html National Drug Code Directory:0078-0568-45 BindingDB:50123012 Wikipedia:Lumefantrine Wikipedia:http://en.wikipedia.org/wiki/Lumefantrine PubChem Compound:6437380 Beilstein:8811003 DrugBank:DB06708 ChEMBL:12798326 RxList:http://www.rxlist.com/coartem-drug.htm PharmGKB:PA165111722 PubChem Substance:99443260
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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Mapping To	Ontology	Source
http://purl.obolibrary.org/obo/CHEBI_156095	CHEBI	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_156095	PDRO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_156095	FIDEO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_156095	EUPATH	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_156095	BERO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_156095	BIOMODELS	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_156095	DRON	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_156095	CHEBI	LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0531104	OCHV	LOOM
http://purl.obolibrary.org/obo/NCIT_C81541	BERO	LOOM
http://purl.obolibrary.org/obo/CHEBI_156095	PDRO	LOOM
http://purl.obolibrary.org/obo/CHEBI_156095	FIDEO	LOOM
http://purl.obolibrary.org/obo/CHEBI_156095	EUPATH	LOOM
http://purl.obolibrary.org/obo/CHEBI_156095	BERO	LOOM
http://purl.obolibrary.org/obo/CHEBI_156095	BIOMODELS	LOOM
http://purl.obolibrary.org/obo/CHEBI_156095	DRON	LOOM
http://purl.bioontology.org/ontology/VANDF/4028722	VANDF	LOOM
http://purl.bioontology.org/ontology/RXNORM/847728	RXNORM	LOOM
http://www.phoc.org.cn/pmo/class/PMO_00026685	PMAPP-PMO	LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/420307001	SNOMEDCT	LOOM
https://go.drugbank.com/drugs/DB06708	MDM	LOOM
http://purl.bioontology.org/ontology/NDDF/009715	NDDF	LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000178418	NDFRT	LOOM
http://purl.bioontology.org/ontology/MESH/D000078102	MESH	LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#C102070	RH-MESH	LOOM
http://purl.obolibrary.org/obo/IDOMAL_0000248	IDOMAL	LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C81541	NCIT	LOOM