General
Preferred name
SIMVASTATIN
Synonyms
MK 733 ()
MK-0733 ()
Zocor ()
Simvastatin79902-63-9 ()
Simvastatin (MK 733) ()
MK-0733, MK 733 ()
(+)-simvastatin ()
Simvastatin-d6 ()
Zocor Heart-Pro ()
Synvinolin ()
Lacersa ()
Simvador ()
MK-733 ()
Ranzolont ()
NSC-758706 ()
Simvastatin hydroxy acid ()
Flolipid ()
C10AA01 ()
P&D ID
PD001216
CAS
79902-63-9
1002347-71-8
Tags
natural product
drug
probe
prodrug
available
Approved by
FDA
First approval
1991
Drug indication
Antihyperlipidemic
Hypercholesterolaemia
Drug Status
approved
Max Phase
4.0
Probe info
Probe selectivity
protein-selective
Probe type
calculated probe
Probe sources
Probe Miner (suitable probes)
Probe targets
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Simvastatin is a statin class anti-dyslipidemia drug. It is synthetically derived from a fermantation product from Aspergillus terreus.
Simvastatin is on the World Health Organisation's List of Essential Medicines. Click here to access the pdf version of the WHO's 21st Essential Medicines list (2019). (GtoPdb)
DESCRIPTION inhibitor of HMG-CoA reductase (Informer Set)
DESCRIPTION HMG-CoA reductase inhibitor (Tocriscreen Plus)
DESCRIPTION Selective inhibitor of MEK1 and MEK2; brain penetrant (Tocris Bioactive Compound Library)
DESCRIPTION HMG-CoA reductase inhibitor (Tocriscreen Total)
Cell lines
6
Organisms
1
Compound Sets
39
AdooQ Bioactive Compound Library
A10845
Axon Medchem Screening Library
3443
Cayman Chemical Bioactives
22181
ChEMBL Approved Drugs
CHEMBL1064
ChEMBL Drugs
CHEMBL1064
Concise Guide to Pharmacology 2017/18
2955
Concise Guide to Pharmacology 2019/20
2955
Concise Guide to Pharmacology 2021/22
2955
Concise Guide to Pharmacology 2023/24
2955
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugBank
DB00641
DrugBank Approved Drugs
DB00641
DrugCentral
2445
DrugCentral Approved Drugs
2445
DrugMAP
DM30SGU
DrugMAP Approved Drugs
DM30SGU
Enamine BioReference Compounds
EU-OPENSCREEN Bioactive Compound Library
EOS101526
Guide to Pharmacology
2955
Informer Set
27894
JUMP-Target 1 Compound Set
54454
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL1064
MedChem Express Bioactive Compound Library
HY-17502
Natural product-based probes and drugs
NCATS Inxight Approved Drugs
AGG2FN16EV
NIH Clinical Collections (NCC)
Novartis Chemogenetic Library (NIBR MoA Box)
NPC Screening Collection
Prestwick Chemical Library
Probe Miner (suitable probes)
P04035/246632
ReFrame library
Selleckchem Bioactive Compound Library
Simvastatin(Zocor)
TargetMol Bioactive Compound Library
T0687
The Spectrum Collection
Tocris Bioactive Compound Library
1965
Tocriscreen Plus
1965
Tocriscreen Total
ZINC Tool Compounds
ZINC000003780893
External IDs
56
Properties
(calculated by RDKit )
Molecular Weight
418.27
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
1
Rotatable Bonds
6
Ring Count
3
Aromatic Ring Count
0
cLogP
4.59
TPSA
72.83
Fraction CSP3
0.76
Chiral centers
7.0
Largest ring
6.0
QED
0.64
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
HMGCR
HMG-CoA Reductase
HMGCR, ITGB2
HMG-CoA inhibitor
ITGB2
Ferroptosis
HMG-CoA Reductase (HMGCR)
Mitophagy
Apoptosis related,Autophagy,Ferroptosis,HMG-CoA Reductase,Mitophagy
Compound status
FDA
Target Type
Enzymes
Pathway
Metabolism
Apoptosis
Autophagy
Metabolic Enzyme/Protease
MOA
Inhibitor
HMG-CoA Reductase Inhibitors
HDL-Cholesterol Increasing Agents
HMGCR inhibitor
Member status
member
Disease Area
endocrinology, cardiology, neurology/psychiatry
Indication
hypercholesterolemia, coronary heart disease, myocardial infarction, stroke, hyperlipidemia
Biosynthetic Origin
Polyketide
Therapeutic Indication
Hypocholesterolemic
Therapeutic Class
Cardiovascular
Anticholesteremic Agents
Source data