lusutrombopag   Click here for help

GtoPdb Ligand ID: 10032

Synonyms: Mulpleta® | S-888711 | S888711
Approved drug
lusutrombopag is an approved drug (Japan (2015), FDA (2018), EMA (2019))
Compound class: Synthetic organic
Comment: Lusutrombopag is an orally bioavailable, nonpeptidyl, small molecule thrombopoietin (TPO) receptor agonist [4] that was developed by Shionogi in Japan. It was the second TPO receptor agonist to receive FDA approval in 2018 (avatrombopag was the first).
Lusutrombopag demonstrates antibacterial activity in vitro with potential to be repurposed as a treatment for infections caused by drug-resistant Enterococcus spp. [3].
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 14
Topological polar surface area 125.99
Molecular weight 590.14
XLogP 7.78
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CCCCCCOC(c1cccc(c1OC)c1csc(n1)NC(=O)c1cc(Cl)c(c(c1)Cl)C=C(C(=O)O)C)C
Isomeric SMILES CCCCCCO[C@H](c1cccc(c1OC)c1csc(n1)NC(=O)c1cc(Cl)c(c(c1)Cl)/C=C(/C(=O)O)\C)C
InChI InChI=1S/C29H32Cl2N2O5S/c1-5-6-7-8-12-38-18(3)20-10-9-11-21(26(20)37-4)25-16-39-29(32-25)33-27(34)19-14-23(30)22(24(31)15-19)13-17(2)28(35)36/h9-11,13-16,18H,5-8,12H2,1-4H3,(H,35,36)(H,32,33,34)/b17-13+/t18-/m0/s1
InChI Key NOZIJMHMKORZBA-KJCUYJGMSA-N
Download 2D Structure Click here for help
Canonical SMILES Download
Isomeric SMILES Download
InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel