FLUVASTATIN

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Synonyms
Status
Molecule Category Free-form
ATC C10AA04
UNII 4L066368AS

Structure

InChI Key FJLGEFLZQAZZCD-VAWYXSNFSA-N
Smiles CC(C)n1c(/C=C/C(O)CC(O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21
InChI
InChI=1S/C24H26FNO4/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30)/b12-11+

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H26FNO4
Molecular Weight 411.47
AlogP 4.63
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 8.0
Polar Surface Area 82.69
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 30.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 3-28 - - -
Enzyme Protease Serine protease Serine protease SC clan Serine protease S9B subfamily
- - - - 8
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 76-98.2
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 28-28 - - 76-98.2
Rattus norvegicus
- 3 - - -
Sus scrofa
- - - - 8

Cross References

Resources Reference
ChEBI 38562
ChEMBL CHEMBL2220442
DrugBank DB01095
FDA SRS 4L066368AS
Guide to Pharmacology 2951
PubChem 1548972
SureChEMBL SCHEMBL2848
ZINC ZINC01886617
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