pitavastatin   Click here for help

GtoPdb Ligand ID: 3035

Synonyms: itavastatin | Livalo®
Approved drug PDB Ligand
pitavastatin is an approved drug (FDA (2009))
Compound class: Synthetic organic
Comment: Pitavastatin is a statin drug.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 90.65
Molecular weight 421.17
XLogP 3.87
No. Lipinski's rules broken 0
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Canonical SMILES OC(CC(C=Cc1c(nc2c(c1c1ccc(cc1)F)cccc2)C1CC1)O)CC(=O)O
Isomeric SMILES O[C@H](C[C@@H](/C=C/c1c(nc2c(c1c1ccc(cc1)F)cccc2)C1CC1)O)CC(=O)O
InChI InChI=1S/C25H24FNO4/c26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31/h1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31)/b12-11+/t18-,19-/m1/s1
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2009))
IUPAC Name Click here for help
(E,3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid
International Nonproprietary Names Click here for help
INN number INN
7730 pitavastatin
Synonyms Click here for help
itavastatin | Livalo®
Database Links Click here for help
CAS Registry No. 147511-69-1 (source: Scifinder)
ChEBI CHEBI:694761
ChEMBL Ligand CHEMBL1201753
DrugBank Ligand DB08860
DrugCentral Ligand 2214
GtoPdb PubChem SID 178100251
PubChem CID 5282452
Search Google for chemical match using the InChIKey VGYFMXBACGZSIL-MCBHFWOFSA-N
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UniChem Compound Search for chemical match using the InChIKey VGYFMXBACGZSIL-MCBHFWOFSA-N
UniChem Connectivity Search for chemical match using the InChIKey VGYFMXBACGZSIL-MCBHFWOFSA-N
Wikipedia Pitavastatin