hetrombopag   Click here for help

GtoPdb Ligand ID: 10657

Synonyms: SHR-8735
Compound class: Synthetic organic
Comment: Hetrombopag is an orally bioavailable, non-peptide small‐molecule thrombopoietin receptor (TPOR/MPL) agonist, that was developed as a treatment for thrombocytopenia [1]. The parent compound is shown here. It is administered as the ethanolamine/olamine.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 132.66
Molecular weight 458.16
XLogP 5.71
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES Oc1c(cccc1c1ccc(o1)C(=O)O)N=Nc1c(C)[nH]n(c1=O)c1ccc2c(c1)CCCC2
Isomeric SMILES Oc1c(cccc1c1ccc(o1)C(=O)O)N=Nc1c(C)[nH]n(c1=O)c1ccc2c(c1)CCCC2
InChI InChI=1S/C25H22N4O5/c1-14-22(24(31)29(28-14)17-10-9-15-5-2-3-6-16(15)13-17)27-26-19-8-4-7-18(23(19)30)20-11-12-21(34-20)25(32)33/h4,7-13,28,30H,2-3,5-6H2,1H3,(H,32,33)
InChI Key YATJUTCKRWETAB-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
5-[2-hydroxy-3-[[5-methyl-3-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]furan-2-carboxylic acid
Synonyms Click here for help
SHR-8735
Database Links Click here for help
CAS Registry No. 1257792-41-8
GtoPdb PubChem SID 404859104
PubChem CID 135565610
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