Home
Drugs
Targets
Pathways
Ontologies
Cyp450s
Adv.search
Help/FAQ

Drug Details

add
Name:SIMVASTATIN
PubChem ID:54454
Pathway:Show KEGG pathways
InChI:InChI=1/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
SMILES:CCC(C)(C)C(=O)O[C@H]1(C[C@@H](C)(C=C2C=C[C@@H](C)[C@H](CC[C@@H]3(C[C@@H](CC(=O)O3)O))[C@@H]12))

Properties:
Formula:C25H38O5Atoms:37
Molecular Weight:418.566Rotatable Bonds:7
H-bond Acceptors:5H-bond Donors:0
logP:4.5856
Targets:
NameUniprot IDSourceReferencesInteraction
3-hydroxy-3-methylglutaryl-coenzyme A reductaseHMDH_HUMANSuperTargetPMID 015503655shows
AngiotensinogenANGT_HUMANDrugBank-shows
Bone morphogenetic protein 2BMP2_HUMANDrugBank-shows
C-C motif chemokine 2CCL2_HUMANDrugBank-shows
Caspase-3CASP3_HUMANDrugBank-shows
Collagen alpha-1(XIII) chainCODA1_HUMANDrugBank-shows
Cytochrome P450Q7Z448_HUMANSuperTargetPMID 015811174shows
Cytochrome P450Q86SK2_HUMANSuperTargetPMID 015811174shows
Cytochrome P450Q86SK3_HUMANSuperTargetPMID 015811174shows
Cytochrome P450 2C8CP2C8_HUMANSuperCypPMID 17178259shows
Cytochrome P450 2C9CP2C9_HUMANSuperCypPMID 8737761shows
Cytochrome P450 2D6CP2D6_HUMANSuperCypPMID 15285699shows
Cytochrome P450 3A4CP3A4_HUMANSuperTargetPMID 015811174shows
Cytochrome P450 3A5CP3A5_HUMANSuperCypPMID 9321523shows
Cytochrome P450 3A7CP3A7_HUMANSuperCyp-shows
Cytochrome P450 CYP3A4Q9BZM0_HUMANSuperTargetPMID 015811174shows
Cytochrome P450 family 3 subfamily A polypeptide 4Q6GRK0_HUMANSuperTargetPMID 015811174shows
D(2) dopamine receptorDRD2_RATPROMISCUOUSPMID 15711596shows
Dual oxidase 1DUOX1_HUMANPROMISCUOUSPMID 18658277shows
Dual oxidase 2DUOX2_HUMANPROMISCUOUSPMID 18658277shows
Heat-stable enterotoxin receptorGUC2C_PIGPROMISCUOUSPMID 17251484shows
Integrin beta-2ITB2_HUMANDrugBank-shows
Intercellular adhesion molecule 1ICAM1_HUMANDrugBank-shows
Interferon gammaIFNG_HUMANDrugBank-shows
Interleukin-6IL6_HUMANDrugBank-shows
Interleukin-8IL8_HUMANDrugBank-shows
Leukocyte antigenO00157_HUMANDrugBank-shows
Low-density lipoprotein receptorLDLR_HUMANPROMISCUOUSPMID 11735125shows
Lymphotoxin-betaTNFC_HUMANDrugBank-shows
Matrix metalloproteinase 9Q9Y354_HUMANPROMISCUOUSPMID 15728660shows
Matrix metalloproteinase-9MMP9_HUMANDrugBank-shows
Mitogen-activated protein kinase 3MK03_HUMANDrugBank-shows
Neuronal nitric-oxide synthase isoform muO75713_HUMANPROMISCUOUSPMID 12860247shows
Nitric oxide synthaseQ62710_RATPROMISCUOUSPMID 11470468shows
Nitric oxide synthase, brainNOS1_HUMANPROMISCUOUSPMID 12860247shows
Nitric oxide synthase, brainNOS1_RATPROMISCUOUSPMID 11470468shows
Nitric oxide synthase, brainNOS1_MOUSEPROMISCUOUSPMID 18758513shows
Nitric oxide synthase, endothelialNOS3_HUMANPROMISCUOUSPMID 12860247shows
Nitric oxide synthase, endothelialNOS3_RATPROMISCUOUSPMID 11470468shows
Nitric oxide synthase, endothelialNOS3_MOUSEPROMISCUOUSPMID 18758513shows
Nitric oxide synthase, inducibleNOS2_HUMANPROMISCUOUSPMID 12860247shows
Nitric oxide synthase, inducibleNOS2_RATPROMISCUOUSPMID 11470468shows
Nitric oxide synthase, inducibleNOS2_MOUSEPROMISCUOUSPMID 18758513shows
Peroxisome proliferator-activated receptor alphaPPARA_HUMANDrugBank-shows
Phosphatidylinositol 3-kinase alpha catalytic subunitQ91XL6_RATPROMISCUOUSPMID 15475833shows
Phosphatidylinositol 3-kinase catalytic subunit type 3PK3C3_RATPROMISCUOUSPMID 15475833shows
Plasminogen activator inhibitor 1PAI1_HUMANDrugBank-shows
ProthrombinTHRB_HUMANDrugBank-shows
RAC-alpha serine/threonine-protein kinaseAKT1_HUMANPROMISCUOUSPMID 15475833shows
RAC-alpha serine/threonine-protein kinaseAKT1_MOUSEPROMISCUOUSPMID 15475833shows
Ras-related C3 botulinum toxin substrate 1RAC1_HUMANDrugBank-shows
Stromelysin-1MMP3_HUMANDrugBank-shows
Transforming protein RhoARHOA_HUMANDrugBank-shows
Tumor necrosis factorTNFA_HUMANDrugBank-shows
Tumor necrosis factor receptor superfamily member 5TNR5_HUMANDrugBank-shows
Vascular endothelial growth factor AVEGFA_HUMANDrugBank-shows
Synonyms:
(1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]et
(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
2,2-Dimethylbutanoic acid (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester
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
79902-63-9
AIDS-111666
AIDS111666
BB_NC-1255
BCBcMAP01_000007
BPBio1_001001
BRN 4768037
BSPBio_000909
BSPBio_002337
Butanoic acid, 2,2-dimethyl-, (1S,3R,7S,8S,*aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-((2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester
Butanoic acid, 2,2-dimethyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-((2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester
Butanoic acid, 2,2-dimethyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester
Butanoic acid, 2,2-dimethyl-, 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester, (1S-(1alpha,3alpha,7beta,8beta(2S*,4S*),8abeta))-
butanoic acid, 2,2-dimethyl-,1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)-ethyl]-1-naphthalenyl ester, [1S-[1 alpha,3 alpha,7 beta,8 beta(2S*,4S*),-8a beta
C25H38O5
CCRIS 7558
CHEBI:9150
Cholestat
Coledis
Colemin
Corolin
D00434
DB00641
Denan
DivK1c_006991
DRG-0320
HSDB 7208
KBio1_001935
KBio2_002197
KBio2_004765
KBio2_007333
KBio3_001557
KBioGR_001244
KBioSS_002197
KS-1113
L 644128-000U
Labistatin
Lipex
Lipovas
Lodal s
Lodales
LS-46264
Medipo
Mixture Name
MK 0733
MK-0733
MK-733
MLS001304029
MLS001333077
MLS001333078
MLS002154038
NCGC00017324-01
NCGC00017324-02
NCGC00017324-03
nchembio790-comp16
Nivelipol
Pantok
Prestwick0_000865
Prestwick1_000865
Prestwick2_000865
Prestwick3_000865
Prestwick_171
Rendapid
S6196_SIGMA
Simovil
SIMVASTATIN
Simvastatin (JAN/USP/INN)
Simvastatin [USAN:BAN:INN]
Simvastatin [USAN:INN:BAN]
Simvastatin, Compactin
Simvastatina
Simvastatina [Spanish]
Simvastatine
Simvastatine [French]
Simvastatinum
Simvastatinum [Latin]
Sinvacor
Sivastin
SMR000718785
SPBio_001881
SPBio_002830
SpecPlus_000895
SPECTRUM1504236
Spectrum2_001671
Spectrum3_000669
Spectrum4_000632
Spectrum5_001428
Spectrum_001717
Synvinolin
TNP00259
Vasotenal
Vytorin
ZINC03780893
Zocor
Zocor (TN)
Zocord
[(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
ATC-Codes:
Side-Effects:
Side-EffectFrequency
constipation0.13426316
atrial fibrillation0.057
flatulence0.050999995
abdominal pain0.044826083
endocrine disorders0.042
diabetes mellitus0.042
headache0.041736852
nausea0.03603572
infection0.032
diarrhea0.03185714
upper respiratory infection0.026157895
dyspepsia0.020000003
asthenia0.014600003
eczema0.012625001
cataract0.005666666
myalgia0.0038536591
rash0.0014054052
pruritus0.0014
gynecomastia0.0010
hepatic failure0.0010
chills0.0010
toxic epidermal necrolysis0.0010
anaphylaxis0.0010
hemolytic anemia0.0010
positive ana0.0010
erythema multiforme0.00068
vasculitis0.00054
urticaria0.00054
thrombocytopenia0.00054
lupus0.00054
malaise0.00054
photosensitivity0.00054
arthralgia0.00054
polymyalgia rheumatica0.00054
arthritis0.00054
angioedema0.00054
dermatomyositis0.00054
flushing0.00054
fever0.00054
dyspnea0.00054
eosinophilia0.00054
esr increased0.0005
vomiting0.00035
stevens - johnson syndrome0.00035
rhabdomyolysis0.00035
purpura0.00035
anemia0.00035
dizziness0.00035
hepatitis0.00035
jaundice0.00035
leukopenia0.00035
muscle cramps0.00035
pancreatitis0.00035
paresthesia0.00035
alopecia0.00035
hypersensitivity0.00035
peripheral neuropathy0.00034
anorexia0.00033
sensory disturbance0.00033
elevated alkaline phosphatase0.00033
muscle weakness0.00033
anxiety0.00033
skin erythema0.0
bronchitis0
decreased libido0
myopathy0
memory loss0
hepatic necrosis0
tremor0
nerve palsy0
chronic active hepatitis0
ophthalmoplegia0
sinusitis0
vertigo0
gastritis0
weakness0
regurgitation0
hepatoma0
cirrhosis0
swelling0
edema0
insomnia0
memory impairment0