The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

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Preferred Name	atovaquone
Synonyms	2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxy-1,4-naphthoquinone C22H19ClO3 2-hydroxy-3-[(1r,4r)-4-(4-chlorophenyl)cyclohexyl]-1,4-dihydronaphthalene-1,4-dione 2-(trans-4-(p-Chlorophenyl)cyclohexyl)-3-hydroxy-1,4-naphthoquinone atovaquone
ID	http://purl.obolibrary.org/obo/CHEBI_575568
AHFScode	08:30.92
altId	CHEBI:2912
ATCCode	P01AX06
CASRN	95233-18-4
DBBrand	malarone pediatric
DBname	atovaquone
Definition	A naphthoquinone compound having a 4-(4-chlorophenyl)cyclohexyl group at the 2-position and a hydroxy substituent at the 3-position.
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_0000377 http://purl.obolibrary.org/obo/OAE_0000376 http://purl.obolibrary.org/obo/OAE_0001046 http://purl.obolibrary.org/obo/OAE_0000443 http://purl.obolibrary.org/obo/OAE_0000308 http://purl.obolibrary.org/obo/OAE_0000567 http://purl.obolibrary.org/obo/OAE_0000195 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_0001448 http://purl.obolibrary.org/obo/OAE_0000382 http://purl.obolibrary.org/obo/OAE_0000600 http://purl.obolibrary.org/obo/OAE_0000310 http://purl.obolibrary.org/obo/OAE_0000476 http://purl.obolibrary.org/obo/OAE_0000770 http://purl.obolibrary.org/obo/OAE_0001026 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_0000687 http://purl.obolibrary.org/obo/OAE_0000455 http://purl.obolibrary.org/obo/OAE_0001057 http://purl.obolibrary.org/obo/OAE_0000645 http://purl.obolibrary.org/obo/OAE_0000584 http://purl.obolibrary.org/obo/OAE_0002206 http://purl.obolibrary.org/obo/OAE_0000401 http://purl.obolibrary.org/obo/OAE_0000602 http://purl.obolibrary.org/obo/OAE_0001217 http://purl.obolibrary.org/obo/OAE_0000396 http://purl.obolibrary.org/obo/OAE_0000362 http://purl.obolibrary.org/obo/OAE_0000374 http://purl.obolibrary.org/obo/OAE_0001366 http://purl.obolibrary.org/obo/OAE_0000402 http://purl.obolibrary.org/obo/OAE_0000350
has pharmacological target	http://purl.obolibrary.org/obo/dinto_1962 http://purl.obolibrary.org/obo/dinto_3928
has role	http://purl.obolibrary.org/obo/CHEBI_23924 http://purl.obolibrary.org/obo/CHEBI_35718 http://purl.obolibrary.org/obo/CHEBI_38068
InChI	InChI=1S/C22H19ClO3/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26/h1-4,9-13,15,26H,5-8H2/t13-,15-
InChIKey	InChIKey=KUCQYCKVKVOKAY-CTYIDZIISA-N
inhibits	http://purl.obolibrary.org/obo/dinto_0637 http://purl.obolibrary.org/obo/dinto_2058 http://purl.obolibrary.org/obo/dinto_1962 http://purl.obolibrary.org/obo/dinto_3928
label	atovaquone
may interact with	http://purl.obolibrary.org/obo/CHEBI_10110 http://purl.obolibrary.org/obo/CHEBI_45367 http://purl.obolibrary.org/obo/CHEBI_27902 http://purl.obolibrary.org/obo/CHEBI_28077
prefixIRI	obo2:CHEBI_575568
prefLabel	atovaquone
SMILES	OC1=C([C@H]2CC[C@@H](CC2)C2=CC=C(Cl)C=C2)C(=O)C2=CC=CC=C2C1=O OC1=C([C@H]2CC[C@@H](CC2)c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O
Synonym	2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxy-1,4-naphthoquinone C22H19ClO3 2-hydroxy-3-[(1r,4r)-4-(4-chlorophenyl)cyclohexyl]-1,4-dihydronaphthalene-1,4-dione 2-(trans-4-(p-Chlorophenyl)cyclohexyl)-3-hydroxy-1,4-naphthoquinone atovaquone
xref	PharmGKB:PA448502 RxList:http://www.rxlist.com/cgi/generic/atovaqu.htm PubChem Substance:46507298 CASRN:95233-18-4 Drugs.com:http://www.drugs.com/cdi/atovaquone.html Wikipedia:http://en.wikipedia.org/wiki/Atovaquone DrugBank:DB01117 Beilstein:8076827 National Drug Code Directory:0173-0665-18 Patent:US5053432 KEGG DRUG:D00236 ChEBI:575568 PubChem Compound:74989 DrugBank:95233-18-4 Drugs Product Database (DPD):2217422 BindingDB:16301 Wikipedia:Atovaquone Patent:EP123238 ChemSpider:67544
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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Mapping To	Ontology	Source
http://purl.obolibrary.org/obo/CHEBI_575568	HOIP	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_575568	CHEBI	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_575568	PDRO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_575568	BERO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_575568	TXPO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_575568	BIOMODELS	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_575568	DRON	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_575568	HOIP	LOOM
http://purl.obolibrary.org/obo/CHEBI_575568	CHEBI	LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D04.615.638.721.186	RH-MESH	LOOM
https://go.drugbank.com/drugs/DB01117	MDM	LOOM
http://purl.bioontology.org/ontology/RXNORM/60212	RXNORM	LOOM
http://purl.bioontology.org/ontology/VANDF/4020594	VANDF	LOOM
http://purl.bioontology.org/ontology/MESH/D053626	MESH	LOOM
http://purl.obolibrary.org/obo/CHEBI_575568	PDRO	LOOM
http://purl.obolibrary.org/obo/CHEBI_575568	BERO	LOOM
http://purl.obolibrary.org/obo/CHEBI_575568	TXPO	LOOM
http://purl.obolibrary.org/obo/CHEBI_575568	BIOMODELS	LOOM
http://purl.obolibrary.org/obo/CHEBI_575568	DRON	LOOM
http://purl.bioontology.org/ontology/CSP/4007-0009	CRISP	LOOM
http://purl.obolibrary.org/obo/NCIT_C28838	BERO	LOOM
http://purl.bioontology.org/ontology/LNC/MTHU031993	LOINC	LOOM
http://www.co-ode.org/ontologies/galen#Atovaquone	GALEN	LOOM
http://purl.bioontology.org/ontology/RCD/ey2..	RCD	LOOM
http://purl.obolibrary.org/obo/OMIT_0025488	OMIT	LOOM
http://www.drugbank.ca/drugs/DB01117	FTC	LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000148284	NDFRT	LOOM
http://purl.obolibrary.org/obo/MESH_D053626	BERO	LOOM
http://purl.jp/bio/4/id/200906056543627803	IOBC	LOOM
http://stirdf.jst.go.jp/id/200907077472490632	IOBC	LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/386899002	SNOMEDCT	LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0165603	OCHV	LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#18072	OCHV	LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C28838	NCIT	LOOM
http://www.phoc.org.cn/pmo/class/PMO_00017346	PMAPP-PMO	LOOM
http://purl.bioontology.org/ontology/LNC/LP94829-6	LOINC	LOOM
http://purl.obolibrary.org/obo/IDOMAL_0000242	IDOMAL	LOOM
http://purl.bioontology.org/ontology/ATC/P01AX06	ATC	LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D053626	RH-MESH	LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D02.806.550.312	RH-MESH	LOOM