CERIVASTATIN

Search structure


Synonyms:	Baycol Cerivastatin Lipobay
Status:	Approved (1997)
Entry Type:	Small molecule
Molecule Category:	UNKNOWN
ATC:	C10AA06
UNII:	AM91H2KS67

Structure


InChI Key	SEERZIQQUAZTOL-ANMDKAQQSA-N
Smile	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
InChI	InChI=1S/C26H34FNO5/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)/b11-10+/t19-,20-/m1/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C26H34FNO5
Molecular Weight	459.56
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

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Oxidoreductase	-	3-10	-	-	-
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	40

Indications

Mesh Heading	Maximum Phase	Mesh ID	Reference

Cross References

Resources	Reference
ChEBI	3558
ChEMBL	CHEMBL1477
DrugBank	DB00439
DrugCentral	577
EPA CompTox	DTXSID9022786
FDA SRS	AM91H2KS67
Guide to Pharmacology	2950
KEGG	C07966
PharmGKB	PA448897
PubChem	446156
SureChEMBL	SCHEMBL16346
ZINC	ZINC000011330186

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