PRAVASTATIN

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC C10AA03
UNII KXO2KT9N0G
EPA CompTox DTXSID6023498

Structure

InChI Key TUZYXOIXSAXUGO-PZAWKZKUSA-N
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
InChI
InChI=1S/C23H36O7/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)/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H36O7
Molecular Weight 424.53
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

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 13-400 - - 86-90.4
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 5.4-52.2
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 5
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Canis lupus familiaris
- 30 - - -
Homo sapiens
- 400 - - 5-94
Rattus norvegicus
- 13-31.6 - - 48-98

Related Entries

Cross References

Resources Reference
ChEBI 63618
ChEMBL CHEMBL1144
DrugBank DB00175
DrugCentral 2239
FDA SRS KXO2KT9N0G
Human Metabolome Database HMDB0005022
Guide to Pharmacology 2953
KEGG C01844
PharmGKB PA451089
PubChem 54687
SureChEMBL SCHEMBL1117
ZINC ZINC000003798763
CONTENTS