lovastatin

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


Classification
Compound class Natural product or derivative
Approved drug? Yes (source: FDA (1987))
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
(+)-mevin‚Äčolin
6α-methylcompactin
Mevacor®
Database Links
BindingDB Ligand 34168
CAS Registry No. 75330-75-5 (source: Scifinder)
ChEBI CHEBI:40303
ChEMBL Ligand CHEMBL503
DrugBank Ligand DB00227
NURSA Ligand 1125
PubChem CID 53232
RCSB PDB Ligand 803
Search Google for chemical match using the InChIKey PCZOHLXUXFIOCF-BXMDZJJMSA-N
Search Google for chemicals with the same backbone PCZOHLXUXFIOCF
Search PubMed clinical trials lovastatin
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Search PubMed titles/abstracts lovastatin
Wikipedia Lovastatin
Comments
NB: there may be ambiguity in the chiral specification in the reported literature