CERIVASTATIN SODIUM

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 6Q18G1060S
EPA CompTox DTXSID0046488

Structure

InChI Key GPUADMRJQVPIAS-QCVDVZFFSA-M
Smiles COCc1c(C(C)C)nc(C(C)C)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c1-c1ccc(F)cc1.[Na+]
InChI
InChI=1S/C26H34FNO5.Na/c1-15(2)25-21(11-10-19(29)12-20(30)13-23(31)32)24(17-6-8-18(27)9-7-17)22(14-33-5)26(28-25)16(3)4;/h6-11,15-16,19-20,29-30H,12-14H2,1-5H3,(H,31,32);/q;+1/p-1/b11-10+;/t19-,20-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H33FNNaO5
Molecular Weight 481.54
AlogP 4.88
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 11.0
Polar Surface Area 99.88
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 33.0

Pharmacology

Mechanism of Action Action Reference
HMG-CoA reductase inhibitor INHIBITOR ISBN
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 700 - - -

Target Conservation

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

Cross References

Resources Reference
ChEBI 3559
ChEMBL CHEMBL1200563
FDA SRS 6Q18G1060S
PubChem 23663992
SureChEMBL SCHEMBL41887
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