Compound Detail
CHEMBL2103883
AVATROMBOPAG 💊 Approved Drug
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💊 Approved Drug
O=C(Nc1nc(-c2cc(Cl)cs2)c(N2CCN(C3CCCCC3)CC2)s1)c1cnc(N2CCC(C(=O)O)CC2)c(Cl)c1
Basic Information
| ChEMBL ID | CHEMBL2103883 |
| Name | AVATROMBOPAG |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | OFZJKCQENFPZBH-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
20
Publications
6
Known Names
7
Indications
1
Mechanisms
Molecular Properties
649.7
MW (Da)
6.58
ALogP
9
HBA
2
HBD
101.9
PSA (Ų)
0.30
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2018 |
| Availability | Prescription |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Thrombopoietin receptor agonist | AGONIST | Thrombopoietin receptor | ✓ | ✓ |
Indications
Hemorrhage Liver Diseases Purpura, Thrombocytopenic, Idiopathic Thrombocytopenia Anemia, Aplastic Anemia, Aplastic Blood Platelet Disorders
ATC Classification
B02BX08
avatrombopag
Level 1: BLOOD AND BLOOD FORMING ORGANS
Level 2: ANTIHEMORRHAGICS
Activity Summary
EC50 2 meas. best 8.48
IC50 1 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BaF3 CHEMBL614524 | EC50 | 8.48 | 8.48 | 3.3 | 1 |
| Unchecked CHEMBL612545 | EC50 | 7.6 | 7.6 | 25.0 | 1 |
| SARS-CoV-2 CHEMBL4303835 | IC50 | 5.24 | 5.24 | 5710.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BaF3 | EC50 | = | 3.3 | nM | 8.48 | Induction of cell proliferation of mouse BaF3 cells expressing full-length human... | 36758304 |
| Unchecked | EC50 | = | 25.0 | nM | 7.6 | Induction of colony formation of human megakaryocyte from human cord blood CD34-... | 36758304 |
| SARS-CoV-2 | IC50 | = | 5710.0 | nM | 5.24 | Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity o... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37468498 | 10.1038/s41467-023-40064-9 | Gamma-aminobutyric acid receptor subunit alpha-1 | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Thromboxane A2 receptor | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | D(1A) dopamine receptor | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Cannabinoid receptor 1 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Adenosine receptor A1 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Sodium-dependent dopamine transporter | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-2A adrenergic receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Muscarinic acetylcholine receptor M1 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Sodium-dependent serotonin transporter | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 1A | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Muscarinic acetylcholine receptor M2 | 2 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-1A adrenergic receptor | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 2B | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Sodium-dependent noradrenaline transporter | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Mu-type opioid receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | D(3) dopamine receptor | 2 |
Data from ChEMBL 36 via Core Engine