Ligand Id: 2739
Ligand name lovastatin

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 72.83
Molecular weight 404.26
XLogP 4.57
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Summary Biological activity References Structure Similar ligands
Classification
Compound class Natural product or derivative
Approved drug? Yes
IUPAC Name
[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate
International Nonproprietary Names
INN number INN
6074 lovastatin
Synonyms
6α-methylcompactin
mevinolin
(+)-mevin​olin
Database Links
BindingDB Ligand 34168
CAS Registry No. 75330-75-5
ChEBI CHEBI:40303
ChEMBL Ligand 381479, CHEMBL503, 109495, 233226, 336341
DrugBank Ligand APRD00370
NURSA Ligand 1125
PubChem CID 53232
RCSB PDB Ligand 803
Search on ChemSpider PCZOHLXUXFIOCF-BXMDZJJMSA-N
Wikipedia Lovastatin
ZINC ZINC03812841

Please note: some links may refer to related isomers. For more details please contact: curators@iuphar-db.org

Comments
NB: there may be ambiguity in the chiral specification in the reported literature