LOVASTATIN

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC C10AA02
UNII 9LHU78OQFD
EPA CompTox DTXSID5020784

Structure

InChI Key PCZOHLXUXFIOCF-BXMDZJJMSA-N
Smiles CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21
InChI
InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H36O5
Molecular Weight 404.55
AlogP 4.2
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 72.83
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 29.0

Metabolites Network

visNetwork

Pharmacology

Mechanism of Action Action Reference
HMG-CoA reductase inhibitor INHIBITOR DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Adhesion
- - - - 37.7-61.4
Enzyme Oxidoreductase
- 0.05-530 - 0.6 -89.97-84.4
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - -17.9-100.71
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Canis lupus familiaris
- 20 - - -
Cricetulus griseus
- - - - 87.54-100.71
Homo sapiens
- 2-79 - 0.6 -17.9-66.5
Mus musculus
- - - - 20.2
Rattus norvegicus
- 3-25 - - 14-72

Target Conservation

Protein: HMG-CoA reductase
Description: 3-hydroxy-3-methylglutaryl-coenzyme A reductase
Organism : Homo sapiens
P04035 ENSG00000113161

Related Entries

Cross References

Resources Reference
ChEBI 40303
ChEMBL CHEMBL503
DrugBank DB00227
DrugCentral 1612
FDA SRS 9LHU78OQFD
Human Metabolome Database HMDB0014372
Guide to Pharmacology 2739
KEGG C07074
PDB 803
PharmGKB PA450272
PubChem 53232
SureChEMBL SCHEMBL3136
ZINC ZINC000003812841
CONTENTS