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 [3] that was developed by Shionogi in Japan. It was the second TPO receptor agonist to receive FDA approval in 2018 (avatrombopag was the first).
2D Structure
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Physico-chemical Properties
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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
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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
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (Japan (2015), FDA (2018), EMA (2019))
IUPAC Name Click here for help
(E)-3-[2,6-dichloro-4-[[4-[3-[(1S)-1-hexoxyethyl]-2-methoxyphenyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]-2-methylprop-2-enoic acid
International Nonproprietary Names Click here for help
INN number INN
9410 lusutrombopag
Synonyms Click here for help
Mulpleta® | S-888711 | S888711
Database Links Click here for help
CAS Registry No. 1110766-97-6 (source: PubChem)
ChEMBL Ligand CHEMBL2107831
DrugBank Ligand DB13125
DrugCentral Ligand 5059
GtoPdb PubChem SID 375973220
PubChem CID 49843517
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UniChem Compound Search for chemical match using the InChIKey NOZIJMHMKORZBA-KJCUYJGMSA-N
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