simvastatin (Q670131)

Gene Ontology release 2019-11-16

has use

medication

0 references

chemical structure

Simvastatin Structural Formulae.svg
471 × 358; 43 KB

0 references

mass

418.272 dalton

1 reference

simvastatin (English)

[(1S,3R,7S,8R,8aS)-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

18 November 2016

stereoisomer of

2 references

inferred from InChIKey

inferred from InChI

chemical formula

C₂₅H₃₈O₅

1 reference

simvastatin (English)

18 November 2016

canonical SMILES

CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C

1 reference

simvastatin (English)

18 November 2016

isomeric SMILES

CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C

1 reference

simvastatin (English)

18 November 2016

defined daily dose

30 milligram

route of administration

oral administration

1 reference

https://www.whocc.no/atc_ddd_index/?code=C10AA01

1 reference

14 February 2018

1 reference

14 February 2018

World Health Organisation international non-proprietary name

simvastatin (English)

2 references

simvastatin (English)

Methylsulfonylated Polyketides Produced by Neosartorya udagawae HDN13-313 via Exogenous Addition of Small Molecules

3 October 2016

published in

Recommended INN: List 28

1988

1 reference

Neosartorya udagawae

1 reference

Methylsulfonylated Polyketides Produced by Neosartorya udagawae HDN13-313 via Exogenous Addition of Small Molecules

medical condition treated

1 reference

13 December 2016

familial hyperlipidemia

1 reference

13 December 2016

1 reference

13 December 2016

coronary artery disease

1 reference

Drug Indications Extracted from FAERS

13 December 2016

1 reference

significant drug interaction

2 October 2018

amiodarone

1 reference

High-priority drug–drug interactions for use in electronic health records

amprenavir

1 reference

High-priority drug–drug interactions for use in electronic health records

atazanavir

1 reference

High-priority drug–drug interactions for use in electronic health records

clarithromycin

1 reference

High-priority drug–drug interactions for use in electronic health records

darunavir

1 reference

High-priority drug–drug interactions for use in electronic health records

diltiazem

1 reference

High-priority drug–drug interactions for use in electronic health records

erythromycin

1 reference

High-priority drug–drug interactions for use in electronic health records

fluconazole

1 reference

High-priority drug–drug interactions for use in electronic health records

1 reference

High-priority drug–drug interactions for use in electronic health records

Ketoconazole

1 reference

High-priority drug–drug interactions for use in electronic health records

lopinavir

1 reference

High-priority drug–drug interactions for use in electronic health records

nefazodone

1 reference

High-priority drug–drug interactions for use in electronic health records

nelfinavir

1 reference

High-priority drug–drug interactions for use in electronic health records

ritonavir

1 reference

High-priority drug–drug interactions for use in electronic health records

saquinavir

1 reference

High-priority drug–drug interactions for use in electronic health records

telithromycin

1 reference

High-priority drug–drug interactions for use in electronic health records

tipranavir

1 reference

High-priority drug–drug interactions for use in electronic health records

verapamil

1 reference

High-priority drug–drug interactions for use in electronic health records

(S)-(−)-colchicine

1 reference

A reference set of clinically relevant adverse drug-drug interactions

fenofibrate

1 reference

A reference set of clinically relevant adverse drug-drug interactions

ciprofibrate

1 reference

A reference set of clinically relevant adverse drug-drug interactions

amiodarone

1 reference

A reference set of clinically relevant adverse drug-drug interactions

danazol

1 reference

A reference set of clinically relevant adverse drug-drug interactions

gemfibrozil

1 reference

A reference set of clinically relevant adverse drug-drug interactions

(2R)-daptomycin

1 reference

A reference set of clinically relevant adverse drug-drug interactions

hepatotoxicity

1 reference

A reference set of clinically relevant adverse drug-drug interactions

carbamazepin

hepatotoxicity

1 reference

A reference set of clinically relevant adverse drug-drug interactions

bezafibrate

1 reference

A reference set of clinically relevant adverse drug-drug interactions

(S)-(−)-colchicine

1 reference

A reference set of clinically relevant adverse drug-drug interactions

danazol

1 reference

A reference set of clinically relevant adverse drug-drug interactions

fenofibrate

1 reference

A reference set of clinically relevant adverse drug-drug interactions

erythromycin

1 reference

A reference set of clinically relevant adverse drug-drug interactions

erythromycin

1 reference

A reference set of clinically relevant adverse drug-drug interactions

ritonavir

1 reference

A reference set of clinically relevant adverse drug-drug interactions

ritonavir

1 reference

A reference set of clinically relevant adverse drug-drug interactions

clarithromycin

1 reference

A reference set of clinically relevant adverse drug-drug interactions

clarithromycin

1 reference

A reference set of clinically relevant adverse drug-drug interactions

cyclosporine

1 reference

A reference set of clinically relevant adverse drug-drug interactions

cyclosporine

1 reference

A reference set of clinically relevant adverse drug-drug interactions

ciprofibrate

1 reference

A reference set of clinically relevant adverse drug-drug interactions

Ketoconazole

1 reference

A reference set of clinically relevant adverse drug-drug interactions

Ketoconazole

1 reference

A reference set of clinically relevant adverse drug-drug interactions

verapamil

1 reference

A reference set of clinically relevant adverse drug-drug interactions

verapamil

1 reference

A reference set of clinically relevant adverse drug-drug interactions

amiodarone

1 reference

A reference set of clinically relevant adverse drug-drug interactions

diltiazem

1 reference

A reference set of clinically relevant adverse drug-drug interactions

diltiazem

1 reference

A reference set of clinically relevant adverse drug-drug interactions

amlodipine

1 reference

A reference set of clinically relevant adverse drug-drug interactions

amlodipine

1 reference

A reference set of clinically relevant adverse drug-drug interactions

ranolazine

1 reference

A reference set of clinically relevant adverse drug-drug interactions

1 reference

A reference set of clinically relevant adverse drug-drug interactions

1 reference

A reference set of clinically relevant adverse drug-drug interactions

eltrombopag

1 reference

A reference set of clinically relevant adverse drug-drug interactions

eltrombopag

1 reference

A reference set of clinically relevant adverse drug-drug interactions

cobicistat

1 reference

A reference set of clinically relevant adverse drug-drug interactions

cobicistat

1 reference

A reference set of clinically relevant adverse drug-drug interactions

idelalisib

1 reference

A reference set of clinically relevant adverse drug-drug interactions

idelalisib

1 reference

A reference set of clinically relevant adverse drug-drug interactions

(2R)-daptomycin

1 reference

A reference set of clinically relevant adverse drug-drug interactions

bezafibrate

1 reference

A reference set of clinically relevant adverse drug-drug interactions

gemfibrozil

1 reference

A reference set of clinically relevant adverse drug-drug interactions

posaconazole

1 reference

A reference set of clinically relevant adverse drug-drug interactions

posaconazole

1 reference

A reference set of clinically relevant adverse drug-drug interactions

physically interacts with

3-hydroxy-3-methylglutaryl-CoA reductase

subject has role

enzyme inhibitor

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

2955

17 August 2016

legal status (medicine)

boxed warning

1 reference

https://nctr-crs.fda.gov/fdalabel/ui/spl-summaries/criteria/343802

Australian pregnancy category D

FDA-sourced list of all drugs with black box warnings (Use Download Full Results and View Query links. (English)

pregnancy category

1 reference

imported from Wikimedia project

English Wikipedia

US pregnancy category X

1 reference

imported from Wikimedia project

English Wikipedia

LiverTox likelihood score

LiverTox toxicity likelihood category A

1 reference

8 April 2021

https://www.ncbi.nlm.nih.gov/books/n/livertox/Simvastatin

5 August 2017

2 references

5 March 2018

15 March 2018

1 reference

MeSH descriptor ID

D019821

15 March 2018

anticholesteremic agents

1 reference

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

15 March 2018

0 references

0 references

0 references

Simvastatin

0 references

Identifiers

InChI

1 reference

simvastatin (English)

18 November 2016

2 references

simvastatin (English)

18 November 2016

ChEBI release 2020-09-01

CAS Registry Number

79902-63-9

2 references

simvastatin (English)

18 November 2016

https://commonchemistry.cas.org/detail?cas_rn=79902-63-9

10 April 2021

1 reference

(+)-Simvastatin (English)

18 November 2016

2 references

simvastatin (English)

18 November 2016

Reaxys registry number

4768037

1 reference

simvastatin (English)

3 October 2016

ChEBI ID

9150

mapping relation type

2 references

SIMVASTATIN (English)

18 November 2016

International Chemical Identifier

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

1 reference

SIMVASTATIN (English)

18 November 2016

2 references

inferred from InChIKey

MSBNK-Athens_Univ-AU112801

1 reference

MassBank accession ID

0 references

MSBNK-Athens_Univ-AU112802

0 references

MSBNK-Athens_Univ-AU112803

0 references

MSBNK-Athens_Univ-AU112804

0 references

MSBNK-Athens_Univ-AU112805

0 references

0 references

0 references

0 references

0 references

0 references

0 references

splash10-006w-0790000000-4f23e0376d85845e0964

0 references

splash10-05i1-0940000000-058f6298af54c05532ed

0 references

splash10-0092-0910000000-6ecd838b2f6fddf67dad

0 references

splash10-0597-0900000000-012d0d6fcabbd21d696d

0 references

splash10-000e-0590000000-7f99e0b9531d4f42831a

0 references

splash10-0092-1960000000-e8429bbec985c5ecdd2d

0 references

splash10-0592-1910000000-dc09a51ca37fe4d24a5a

0 references

splash10-0abd-1900000000-9b55821f49270e5dd598

0 references

splash10-0536-1900000000-d8a41a97ccbdb30e5a5e

0 references

splash10-002f-2900000000-abe04d7f99c3eb0f2fcb

0 references

splash10-0006-0000900000-7f9cb5f83c393a4262cb

0 references

splash10-010a-0980000000-65c631834486c03b85a7

0 references

splash10-0a4i-3900000000-d04758924bf88a90c017

0 references

NMRShiftDB structure ID

20168321

1 reference

HSDB ID

7208

1 reference

Hazardous Substances Data Bank

28 October 2019

Simvastatin (English)

10 May 2021

2 references

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

0 references

0 references

0 references

0 references

ECHA Substance Infocard ID

100.115.749

1 reference

http://echa.europa.eu/de/information-on-chemicals/registered-substances

1 reference

World Health Organisation international non-proprietary name numeric ID

Simvastatin (English)

publication date

17 November 2015

6147

1 reference

https://mednet-communities.net/inn/db/ViewINN.aspx?i=6147

Guide to Pharmacology Ligand ID

2955

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

2955

simvastatin (English)

18 November 2016

Simvastatin

1 reference

D02.455.426.559.847.638.400.900

14 March 2018

0 references

0 references

1 reference

simvastatin (English)

18 November 2016

DrugBank ID

DB00641

1 reference

Human Metabolome Database ID

HMDB0005007

2 references

inferred from InChIKey

2 references

simvastatin (English)

18 November 2016

MedlinePlus drug identifier

a692030

0 references

PatientsLikeMe treatment ID

0 references

1 reference

simvastatin (English)

18 November 2016

0 references

1 reference

1 reference

California Proposition 65 list of chemicals

simvastatin (English)

3 October 2016

1 reference

7 January 2020

https://oehha.ca.gov/chemicals/simvastatin

1 reference

6 April 2020

0 references

electronic Essential Medicines List medicine ID

0 references

1 reference

28 October 2013

Microsoft Academic ID

0 references

1 reference

26 January 2022

https://docs.openalex.org/download-snapshot/snapshot-data-format

UMLS CUI

C0074554

1 reference

simvastatin (English)

18 November 2016

C0733683

1 reference

inferred by common MeSH mappings on source and on Wikidata

25 May 2023

0 references

WordNet 3.1 Synset ID

04229061-n

1 reference