PRAVASTATIN SODIUM

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 3M8608UQ61
EPA CompTox DTXSID6047525
Parent Compound: PRAVASTATIN

Structure

InChI Key VWBQYTRBTXKKOG-IYNICTALSA-M
Smiles CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)[O-])[C@H]21.[Na+]
InChI
InChI=1S/C23H36O7.Na/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28;/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28);/q;+1/p-1/t13-,14-,16+,17+,18+,19-,20-,22-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H35NaO7
Molecular Weight 446.52
AlogP 2.44
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 10.0
Polar Surface Area 124.29
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 30.0

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(%)
Enzyme Oxidoreductase
- 4.2-40 - - 27.8-48
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 100.3-102.81
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Canis lupus familiaris
- 30 - - -
Cricetulus griseus
- - - - 100.3-102.81
Rattus norvegicus
- 5-329 - - -

Target Conservation

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

Cross References

Resources Reference
ChEBI 8361
ChEMBL CHEMBL690
FDA SRS 3M8608UQ61
KEGG D00893
PubChem 16759173
SureChEMBL SCHEMBL3013
ZINC ZINC03798763
CONTENTS