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hetrombopag   Click here for help

GtoPdb Ligand ID: 10657

Synonyms: Hengqu® | SHR-8735
Approved drug
hetrombopag is an approved drug (China (2021))
Compound class: Synthetic organic
Comment: Hetrombopag is an orally bioavailable, non-peptide small‐molecule thrombopoietin receptor (TPOR/MPL) agonist (TPO-RA), that was developed as a treatment for thrombocytopenia [3]. The parent compound is shown here. Hetrombopag is administered as the ethanolamine salt. Note that the alternative spelling herombopag is used in some publications [5-6].
2D Structure
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2D Structure

An image of the ligand's 2D structure. For small molecules with SMILES these are drawn using the NCI/CADD Chemical Identifier Resolver. Click on the image to access the chemical structure search tool with the ligand pre-loaded in the structure editor. For other types of ligands, e.g. longer nucleotides and peptides, a manually drawn representation of the molecule may be provided.

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Physico-chemical Properties
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Physico-chemical Properties

Calculated molecular properties are available for small molecules and natural products (not peptides). Properties were generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/). All properties were selected to enable the prediction of the Lipinski Rule-of-Five profile or ‘druglikeness’ for each ligand. For more info on each category see the help pages.

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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

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)
SMILES / InChI / InChIKey
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SMILES / InChI / InChIKey

SMILES (Simplified Molecular Input Line Entry Specification) A specification for unambiguously describing the structure of chemical molecules using short ASCII strings. Canonical SMILES specify a unique representation of the 2D structure without chiral or isotopic specifications. Isomeric SMILES include chiral specification and isotopes.

Standard InChI (IUPAC International Chemical Identifier) and InChIKey InChI is a non-proprietary, standard, textual identifier for chemical substances designed to facilitate linking of information and database searching. An InChIKey is a simplified version of a full InChI, designed for easier web searching.

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

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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

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)
No information available.
Summary of Clinical Use Click here for help
Hetrombopag received its first approval in China in 2021 [2]. It is indicated as a second-line treatment for primary immune thrombocytopenia (ITP) and severe aplastic anaemia (SAA). It is also under evaluation as a treatment for chemotherapy-induced thrombocytopenia [1,5-6].
Clinical Trials
Clinical Trial ID Title Type Source Comment References
NCT02403440 A Study of Hetrombopag Olamine in Chronic Idiopathic Thrombocytopenic Purpura (ITP) Patients Phase 1 Interventional Jiangsu HengRui Medicine Co., Ltd.
NCT03222843 Multicentre, Randomised Phase III Study of the Efficacy and Safety of Hetrombopag Olamine in Idiopathic Thrombocytopenic Purpura (ITP) Patient Phase 3 Interventional Jiangsu HengRui Medicine Co., Ltd.
NCT03603132 A Study to Evaluate Different Intervals Between Dosing and Feeding on the Pharmacokinetics Phase 1 Interventional Jiangsu HengRui Medicine Co., Ltd. Results from this study show that hetrombopag is most effective (in terms of elevating platelet numbers) when administered on an empty stomach (fasting condition) or at least 2 hours before a meal. 4