The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Preferred Name

simvastatin

Synonyms

simvastatin

MK-733

Simvastatine

(1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate

(1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate

Simvastatinum

2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(2-((1S,2S,6R,8S,8aR)-1,2,6,7,8,8a-hexahydro-8-hydroxy-2,6-dimethyl-1-naphthyl)ethyl)tetrahydro-4-hydroxy-2H-pyran-2-one

C25H38O5

Simvastatina

Zocor

Simvastatin

ID

http://purl.obolibrary.org/obo/CHEBI_9150

AHFScode

24:06.08

altId

CHEBI:45577

ATCCode

C10AA01

CASRN

79902-63-9

DBBrand

synvinolin

sinvacor

pantok

sivastin

coledis

nivelipol

zocord

lipex

labistatin

corolin

lodales

simovil

medipo

denan

cholestat

colemin

zocor

rendapid

vasotenal

DBname

simvastatin

DBSynonym

simvastatina [spanish]

simvastatin [usan:ban:inn]

simvastatine [french]

simvastatinum [latin]

Definition

A fatty acid ester comprising a dihydroxyheptanoic acid unit condensed into a lactone; a partially reduced naphthalene structure; and a 2,2-dimethylbutyric acyl substituent at C17. It is used as a cholesterol-lowering and anti-cardiovascular disease drug.

has effect

http://purl.obolibrary.org/obo/OAE_0000390

http://purl.obolibrary.org/obo/OAE_0000377

http://purl.obolibrary.org/obo/OAE_0000205

http://purl.obolibrary.org/obo/OAE_0000968

http://purl.obolibrary.org/obo/OAE_0000567

http://purl.obolibrary.org/obo/OAE_0001106

http://purl.obolibrary.org/obo/OAE_0000462

http://purl.obolibrary.org/obo/OAE_0001001

http://purl.obolibrary.org/obo/OAE_0001129

http://purl.obolibrary.org/obo/OAE_0000449

http://purl.obolibrary.org/obo/OAE_0000920

http://purl.obolibrary.org/obo/OAE_0001024

http://purl.obolibrary.org/obo/OAE_0000659

http://purl.obolibrary.org/obo/OAE_0000333

http://purl.obolibrary.org/obo/OAE_0001448

http://purl.obolibrary.org/obo/OAE_0000300

http://purl.obolibrary.org/obo/OAE_0000600

http://purl.obolibrary.org/obo/OAE_0000197

http://purl.obolibrary.org/obo/OAE_0000385

http://purl.obolibrary.org/obo/OAE_0000789

http://purl.obolibrary.org/obo/OAE_0000396

http://purl.obolibrary.org/obo/OAE_0000418

http://purl.obolibrary.org/obo/OAE_0001373

http://purl.obolibrary.org/obo/OAE_0000434

http://purl.obolibrary.org/obo/OAE_0000596

http://purl.obolibrary.org/obo/OAE_0001030

http://purl.obolibrary.org/obo/OAE_0000468

http://purl.obolibrary.org/obo/OAE_0000375

http://purl.obolibrary.org/obo/OAE_0001378

http://purl.obolibrary.org/obo/OAE_0000374

http://purl.obolibrary.org/obo/OAE_0002206

http://purl.obolibrary.org/obo/OAE_0000539

http://purl.obolibrary.org/obo/OAE_0000482

http://purl.obolibrary.org/obo/OAE_0000308

http://purl.obolibrary.org/obo/OAE_0001369

http://purl.obolibrary.org/obo/OAE_0000376

http://purl.obolibrary.org/obo/OAE_0001463

http://purl.obolibrary.org/obo/OAE_0000487

http://purl.obolibrary.org/obo/OAE_0000195

http://purl.obolibrary.org/obo/OAE_0000921

http://purl.obolibrary.org/obo/OAE_0000382

http://purl.obolibrary.org/obo/OAE_0000358

http://purl.obolibrary.org/obo/OAE_0000565

http://purl.obolibrary.org/obo/OAE_0000460

http://purl.obolibrary.org/obo/OAE_0000402

http://purl.obolibrary.org/obo/OAE_0000021

http://purl.obolibrary.org/obo/OAE_0000415

http://purl.obolibrary.org/obo/OAE_0000601

http://purl.obolibrary.org/obo/OAE_0000310

http://purl.obolibrary.org/obo/OAE_0000645

http://purl.obolibrary.org/obo/OAE_0000453

http://purl.obolibrary.org/obo/OAE_0001026

http://purl.obolibrary.org/obo/OAE_0001095

http://purl.obolibrary.org/obo/OAE_0000394

http://purl.obolibrary.org/obo/OAE_0000905

http://purl.obolibrary.org/obo/OAE_0000166

http://purl.obolibrary.org/obo/OAE_0000602

http://purl.obolibrary.org/obo/OAE_0000525

http://purl.obolibrary.org/obo/OAE_0000536

http://purl.obolibrary.org/obo/OAE_0000210

http://purl.obolibrary.org/obo/OAE_0000388

http://purl.obolibrary.org/obo/OAE_0000584

http://purl.obolibrary.org/obo/OAE_0001167

http://purl.obolibrary.org/obo/OAE_0000455

http://purl.obolibrary.org/obo/OAE_0000362

http://purl.obolibrary.org/obo/OAE_0000373

has pharmacological target

http://purl.obolibrary.org/obo/dinto_4019

has role

http://purl.obolibrary.org/obo/CHEBI_35664

http://purl.obolibrary.org/obo/CHEBI_35679

InChI

InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1

InChIKey

InChIKey=RYMZZMVNJRMUDD-HGQWONQESA-N

induces

http://purl.obolibrary.org/obo/dinto_2058

http://purl.obolibrary.org/obo/dinto_0901

http://purl.obolibrary.org/obo/dinto_0465

inhibits

http://purl.obolibrary.org/obo/dinto_2019

http://purl.obolibrary.org/obo/dinto_2058

http://purl.obolibrary.org/obo/dinto_0901

http://purl.obolibrary.org/obo/dinto_1987

http://purl.obolibrary.org/obo/dinto_0291

http://purl.obolibrary.org/obo/dinto_2993

http://purl.obolibrary.org/obo/dinto_1440

http://purl.obolibrary.org/obo/dinto_4019

http://purl.obolibrary.org/obo/dinto_1221

is metabolised by

http://purl.obolibrary.org/obo/dinto_1956

http://purl.obolibrary.org/obo/dinto_2990

http://purl.obolibrary.org/obo/dinto_0901

http://purl.obolibrary.org/obo/dinto_1892

http://purl.obolibrary.org/obo/dinto_2993

http://purl.obolibrary.org/obo/dinto_0276

http://purl.obolibrary.org/obo/dinto_1221

http://purl.obolibrary.org/obo/dinto_1890

is transported by

http://purl.obolibrary.org/obo/dinto_2019

http://purl.obolibrary.org/obo/dinto_0887

label

simvastatin

may interact with

http://purl.obolibrary.org/obo/dinto_DB04855

http://purl.obolibrary.org/obo/dinto_DB00199

http://purl.obolibrary.org/obo/dinto_DB02703

http://purl.obolibrary.org/obo/CHEBI_3732

http://purl.obolibrary.org/obo/dinto_DB01394

http://purl.obolibrary.org/obo/CHEBI_37924

http://purl.obolibrary.org/obo/CHEBI_72297

http://purl.obolibrary.org/obo/CHEBI_28077

http://purl.obolibrary.org/obo/CHEBI_71272

http://purl.obolibrary.org/obo/dinto_DB00220

http://purl.obolibrary.org/obo/dinto_DB00196

http://purl.obolibrary.org/obo/CHEBI_7494

http://purl.obolibrary.org/obo/CHEBI_68595

http://purl.obolibrary.org/obo/dinto_DB00243

http://purl.obolibrary.org/obo/dinto_DB01026

http://purl.obolibrary.org/obo/CHEBI_40050

http://purl.obolibrary.org/obo/dinto_DB01118

http://purl.obolibrary.org/obo/CHEBI_5001

http://purl.obolibrary.org/obo/dinto_DB00976

http://purl.obolibrary.org/obo/CHEBI_101278

http://purl.obolibrary.org/obo/dinto_DB01319

http://purl.obolibrary.org/obo/dinto_DB01167

http://purl.obolibrary.org/obo/CHEBI_9948

http://purl.obolibrary.org/obo/dinto_DB01369

http://purl.obolibrary.org/obo/CHEBI_63628

http://purl.obolibrary.org/obo/CHEBI_5296

http://purl.obolibrary.org/obo/CHEBI_3387

http://purl.obolibrary.org/obo/CHEBI_119573

http://purl.obolibrary.org/obo/CHEBI_119486

http://purl.obolibrary.org/obo/CHEBI_51450

http://purl.obolibrary.org/obo/dinto_DB06273

http://purl.obolibrary.org/obo/CHEBI_63613

http://purl.obolibrary.org/obo/CHEBI_4031

http://purl.obolibrary.org/obo/CHEBI_45367

http://purl.obolibrary.org/obo/dinto_DB00582

http://purl.obolibrary.org/obo/CHEBI_68558

http://purl.obolibrary.org/obo/CHEBI_45783

http://purl.obolibrary.org/obo/CHEBI_71219

prefixIRI

obo2:CHEBI_9150

prefLabel

simvastatin

related with

http://purl.obolibrary.org/obo/dinto_1324

SMILES

[H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)C(C)(C)CC

Synonym

simvastatin

MK-733

Simvastatine

(1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate

(1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate

Simvastatinum

2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(2-((1S,2S,6R,8S,8aR)-1,2,6,7,8,8a-hexahydro-8-hydroxy-2,6-dimethyl-1-naphthyl)ethyl)tetrahydro-4-hydroxy-2H-pyran-2-one

C25H38O5

Simvastatina

Zocor

Simvastatin

xref

National Drug Code Directory:16714-681-01

Drugs Product Database (DPD):2253747

ChEMBL:238562

PDB:SIM

Wikipedia:http://en.wikipedia.org/wiki/Simvastatin

PharmGKB:PA451363

ChEBI:9150

Beilstein:4768037

PDRhealth:http://www.pdrhealth.com/drug_info/rxdrugprofiles/drugs/zoc1500.shtml

CASRN:79902-63-9

RxList:http://www.rxlist.com/cgi/generic/simva.htm

DrugBank:DB00641

Patent:EP33538

KEGG DRUG:D00434

Drugs.com:http://www.drugs.com/simvastatin.html

Patent:US4444784

Wikipedia:Simvastatin

subClassOf

http://purl.obolibrary.org/obo/dinto_000055

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Delete Mapping To Ontology Source
http://www.drugbank.ca/drugs/DB00641 FTC LOOM
http://purl.obolibrary.org/obo/DDO.owl#DDO_0004003 DDO LOOM
http://purl.obolibrary.org/obo/DDO.owl#DDO_0004003 DMTO LOOM
http://www.owl-ontologies.com/OntologyXCT.owl#Simvastatin CTX LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D04.615.638.400.900 RH-MESH LOOM
http://purl.bioontology.org/ontology/SNMI/C-80812 SNMI LOOM
http://evs.nci.nih.gov/ftp1/NDF-RT/NDF-RT.owl#N0000148200 ODAE LOOM
http://evs.nci.nih.gov/ftp1/NDF-RT/NDF-RT.owl#N0000148200 OCVDAE LOOM
http://purl.bioontology.org/ontology/LNC/LP171640-8 LOINC LOOM
http://doe-generated-ontology.com/OntoAD#C0074554 ONTOAD LOOM
http://www.semanticweb.org/ontologies/STO.owl#b19485ee_419d_4e81_9eac_b7d84ea067ea CVAO LOOM
http://www.semanticweb.org/ontologies/STO.owl#b19485ee_419d_4e81_9eac_b7d84ea067ea STO-DRAFT LOOM
http://purl.bioontology.org/ontology/RXNORM/36567 RXNORM LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D02.455.426.559.847.638.400.900 RH-MESH LOOM
http://www.genomic-cds.org/ont/genomic-cds.owl#Simvastatin GENE-CDS LOOM
http://purl.bioontology.org/ontology/NDDF/003621 NDDF LOOM
http://www.co-ode.org/ontologies/galen#Simvastatin GALEN LOOM
http://scai.fraunhofer.de/AlzheimerOntology#Simvastatin ADO LOOM
http://purl.bioontology.org/ontology/VANDF/4020400 VANDF LOOM
http://purl.bioontology.org/ontology/CSP/5001-0024 CRISP LOOM
https://bioportal.bioontology.org/ontologies/DMTO.owl#DMTO_0001496 DMTO LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000148200 NDFRT LOOM
http://purl.obolibrary.org/obo/DDO.owl#DDO_0005339 DDO LOOM
http://purl.bioontology.org/ontology/RCD/bxd.. RCD LOOM
http://purl.bioontology.org/ontology/MESH/D019821 MESH LOOM
http://stirdf.jst.go.jp/id/200907025396409219 IOBC LOOM
http://purl.obolibrary.org/obo/CHEBI_9150 ODNAE LOOM
http://purl.obolibrary.org/obo/CHEBI_9150 ODNAE SAME_URI
http://purl.obolibrary.org/obo/CHEBI_9150 HUPSON LOOM
http://purl.obolibrary.org/obo/CHEBI_9150 HUPSON SAME_URI
http://purl.obolibrary.org/obo/CHEBI_9150 BIOMODELS LOOM
http://purl.obolibrary.org/obo/CHEBI_9150 BIOMODELS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_9150 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_9150 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_9150 CCONT LOOM
http://purl.obolibrary.org/obo/CHEBI_9150 CCONT SAME_URI
http://purl.obolibrary.org/obo/CHEBI_9150 EFO LOOM
http://purl.obolibrary.org/obo/CHEBI_9150 EFO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_9150 DRON LOOM
http://purl.obolibrary.org/obo/CHEBI_9150 DRON SAME_URI
http://purl.obolibrary.org/obo/CHEBI_9150 GO-PLUS LOOM
http://purl.obolibrary.org/obo/CHEBI_9150 GO-PLUS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_9150 DIDEO LOOM
http://purl.obolibrary.org/obo/CHEBI_9150 DIDEO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_9150 NIFSTD LOOM
http://purl.obolibrary.org/obo/CHEBI_9150 NIFSTD SAME_URI
http://purl.bioontology.org/ontology/PDQ/CDR0000455226 PDQ LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/387584000 SNOMEDCT LOOM
http://bmi.utah.edu/ontologies/peontology/C0074554 RAO LOOM
http://purl.bioontology.org/ontology/UATC/C10AA01 ATC LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C29454 NCIT LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D019821 RH-MESH LOOM
http://purl.jp/bio/4/id/200906010113195462 IOBC LOOM