LOVASTATIN


Trade Names	ALTOPREV LOVASTATIN MEVACOR
Synonyms	6.alpha.-methylcompactin Altoprev C10AA02 L-154803 Lovastatin MK-803 Mevacor Mevinacor Mevinacor 10 Mevinacor 40 Mevinolin Mevlor Monacolin k NSC-758662 Simvastatin impurity, lovastatin- Sivlor
Status
Molecule Category	UNKNOWN
ATC	C10AA02
UNII	9LHU78OQFD
EPA CompTox	DTXSID5020784


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	PCZOHLXUXFIOCF-BXMDZJJMSA-N
Smiles	CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21
InChI	InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C24H36O5
Molecular Weight	404.55
AlogP	4.2
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	6.0
Polar Surface Area	72.83
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	29.0

Metabolites Network

visNetwork

Pharmacology

Mechanism of Action	Action	Reference
HMG-CoA reductase inhibitor	INHIBITOR	DailyMed


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

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Adhesion	-	2400	12900	-	38-61
Enzyme Hydrolase	-	-	-	1100-5012	-
Enzyme Oxidoreductase	-	3-530	-	1	-90-84
Enzyme	-	3-530	-	1100-5012	-90-84
Epigenetic regulator Eraser Histone deacetylase HDAC class I	-	11911	-	-	-
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb	-	16285	-	-	-
Membrane receptor	-	2400	12900	-	-
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	21-101
Transporter Primary active transporter ATP-binding cassette ABCB subfamily	-	19300-19300	-	-	-

Related Entries

Cross References

Resources	Reference
ChEBI	40303
ChEMBL	CHEMBL503
DrugBank	DB00227
DrugCentral	1612
FDA SRS	9LHU78OQFD
Human Metabolome Database	HMDB0014372
Guide to Pharmacology	2739
KEGG	C07074
PDB	803
PharmGKB	PA450272
PubChem	53232
SureChEMBL	SCHEMBL3136
ZINC	ZINC000003812841

CONTENTS


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).