The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

Preferred Name	tolvaptan
Synonyms	C26H25ClN2O3 N-(4-{[(5R)-7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]carbonyl}-3-methylphenyl)-2-methylbenzamide
ID	http://purl.obolibrary.org/obo/dinto_DB06212
AHFScode	40:28.28
ATCCode	C03XA01
binds	http://purl.obolibrary.org/obo/dinto_1440 http://purl.obolibrary.org/obo/dinto_1169 http://purl.obolibrary.org/obo/dinto_2767 http://purl.obolibrary.org/obo/dinto_0901
blocks	http://purl.obolibrary.org/obo/dinto_2767 http://purl.obolibrary.org/obo/dinto_1169
CASRN	150683-30-0
DBBrand	samsca
DBSynonym	opc-41061
Definition	Tolvaptan is used to treat low blood sodium levels (hyponatremia) associated with various conditions like congestive heart failure, cirrhosis, and syndrome of inappropriate antidiuretic hormones (SIADH). FDA approved on May 19, 2009.
has effect	http://purl.obolibrary.org/obo/OAE_0001505 http://purl.obolibrary.org/obo/OAE_0000882 http://purl.obolibrary.org/obo/OAE_0000839 http://purl.obolibrary.org/obo/OAE_0001744 http://purl.obolibrary.org/obo/OAE_0000825 http://purl.obolibrary.org/obo/OAE_0001707 http://purl.obolibrary.org/obo/OAE_0001370 http://purl.obolibrary.org/obo/OAE_0000382 http://purl.obolibrary.org/obo/OAE_0000600 http://purl.obolibrary.org/obo/OAE_0001378 http://purl.obolibrary.org/obo/OAE_0001538 http://purl.obolibrary.org/obo/OAE_0000861 http://purl.obolibrary.org/obo/OAE_0000632 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_0000084 http://purl.obolibrary.org/obo/OAE_0001164 http://purl.obolibrary.org/obo/OAE_0000505 http://purl.obolibrary.org/obo/OAE_0000185 http://purl.obolibrary.org/obo/OAE_0000602 http://purl.obolibrary.org/obo/OAE_0000396 http://purl.obolibrary.org/obo/OAE_0000501 http://purl.obolibrary.org/obo/OAE_0001309 http://purl.obolibrary.org/obo/OAE_0000534
has pharmacological target	http://purl.obolibrary.org/obo/dinto_1169
InChI	InChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31)/t24-/m1/s1
InChIKey	InChIKey=GYHCTFXIZSNGJT-XMMPIXPASA-N
inhibits	http://purl.obolibrary.org/obo/dinto_1440
is metabolised by	http://purl.obolibrary.org/obo/dinto_0901
is substrate of	http://purl.obolibrary.org/obo/dinto_0901 http://purl.obolibrary.org/obo/dinto_1440
is transported by	http://purl.obolibrary.org/obo/dinto_1440
label	tolvaptan
may interact with	http://purl.obolibrary.org/obo/CHEBI_9948 http://purl.obolibrary.org/obo/CHEBI_4551 http://purl.obolibrary.org/obo/CHEBI_8107 http://purl.obolibrary.org/obo/dinto_DB00196 http://purl.obolibrary.org/obo/CHEBI_101278 http://purl.obolibrary.org/obo/CHEBI_7494 http://purl.obolibrary.org/obo/dinto_DB01323 http://purl.obolibrary.org/obo/dinto_DB01167 http://purl.obolibrary.org/obo/CHEBI_3764 http://purl.obolibrary.org/obo/CHEBI_63621 http://purl.obolibrary.org/obo/CHEBI_681850 http://purl.obolibrary.org/obo/dinto_DB00582 http://purl.obolibrary.org/obo/CHEBI_3387 http://purl.obolibrary.org/obo/CHEBI_3732 http://purl.obolibrary.org/obo/CHEBI_45367 http://purl.obolibrary.org/obo/dinto_DB01483 http://purl.obolibrary.org/obo/dinto_DB00199 http://purl.obolibrary.org/obo/CHEBI_3090 http://purl.obolibrary.org/obo/dinto_DB00503 http://purl.obolibrary.org/obo/dinto_DB01026 http://purl.obolibrary.org/obo/CHEBI_28077
modulates	http://purl.obolibrary.org/obo/dinto_2767 http://purl.obolibrary.org/obo/dinto_1169
prefixIRI	obo2:dinto_DB06212
prefLabel	tolvaptan
SMILES	CC1=CC=CC=C1C(=O)NC1=CC(C)=C(C=C1)C(=O)N1CCC[C@@H](O)C2=C1C=CC(Cl)=C2
Synonym	C26H25ClN2O3 N-(4-{[(5R)-7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]carbonyl}-3-methylphenyl)-2-methylbenzamide
xref	PubChem Compound:443894 PubChem Substance:7848276 RxList:http://www.rxlist.com/samsca-drug.htm Wikipedia:http://en.wikipedia.org/wiki/Tolvaptan ChemSpider:391976 Drugs.com:http://www.drugs.com/monograph/tolvaptan.html National Drug Code Directory:59148-021-50
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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Mapping To	Ontology	Source
http://purl.obolibrary.org/obo/XCO_0000570	XCO	LOOM
http://purl.bioontology.org/ontology/PDQ/CDR0000686120	PDQ	LOOM
http://purl.obolibrary.org/obo/CHEBI_32246	DRON	LOOM
http://purl.obolibrary.org/obo/CHEBI_32246	CHEBI	LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/443058000	SNOMEDCT	LOOM
http://purl.bioontology.org/ontology/NDDF/013121	NDDF	LOOM
http://purl.bioontology.org/ontology/RXNORM/358257	RXNORM	LOOM
http://purl.bioontology.org/ontology/PDQ/CDR0000686120	PDQ	LOOM
http://www.drugbank.ca/drugs/DB06212	FTC	LOOM
http://purl.bioontology.org/ontology/MESH/D000077602	MESH	LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000178481	NDFRT	LOOM
http://purl.bioontology.org/ontology/ATC/C03XA01	ATC	LOOM
http://purl.obolibrary.org/obo/DRON_00019230	FIDEO	LOOM
http://purl.bioontology.org/ontology/VANDF/4028789	VANDF	LOOM
http://www.phoc.org.cn/pmo/class/PMO_00025552	PMAPP-PMO	LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#C116664	RH-MESH	LOOM
http://bmi.utah.edu/ontologies/hfontology/C1176308	HFO	LOOM
http://purl.obolibrary.org/obo/CHEBI_32246	PDRO	LOOM
http://purl.obolibrary.org/obo/CHEBI_32246	HOIP	LOOM
http://purl.obolibrary.org/obo/CHEBI_32246	BERO	LOOM
http://purl.obolibrary.org/obo/CHEBI_32246	DDSS	LOOM
http://purl.obolibrary.org/obo/CHEBI_32246	TXPO	LOOM
https://go.drugbank.com/drugs/DB06212	MDM	LOOM
http://purl.obolibrary.org/obo/NCIT_C77082	BERO	LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C77082	NCIT	LOOM