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
Bioactivity Comments
We have been unable to find publicly available bioactivity for this drug at its proposed human target, therefore we have not tagged a primary drug target in this instance.
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
hydroxymethylglutaryl-CoA reductase Rn Inhibitor Inhibition 5.1 pKi - 1
pKi 5.1 (Ki 8.9x10-6 M) [1]
Description: Note this assay used the pitavastatin calcium salt.