Compound Detail
CHEMBL4204794
AVAPRITINIB 💊 Approved Drug
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💊 Approved Drug
Cn1cc(-c2cc3c(N4CCN(c5ncc([C@@](C)(N)c6ccc(F)cc6)cn5)CC4)ncnn3c2)cn1
Basic Information
| ChEMBL ID | CHEMBL4204794 |
| Name | AVAPRITINIB |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | DWYRIWUZIJHQKQ-SANMLTNESA-N |
| Therapeutic | ✓ Yes |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
8
Known Names
7
Indications
2
Mechanisms
Molecular Properties
498.6
MW (Da)
2.61
ALogP
10
HBA
1
HBD
106.3
PSA (Ų)
0.39
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2020 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Stem cell growth factor receptor inhibitor | INHIBITOR | Mast/stem cell growth factor receptor Kit | ✓ | ✓ |
| Platelet-derived growth factor receptor alpha inhibitor | INHIBITOR | Platelet-derived growth factor receptor alpha | ✓ | ✓ |
Indications
Gastrointestinal Stromal Tumors Neoplasms Neoplasms Leukemia, Mast-Cell Leukemia, Myeloid, Acute Mastocytosis, Systemic Glioma
ATC Classification
L01EX18
avapritinib
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: ANTINEOPLASTIC AGENTS
Activity Summary
IC50 4 meas. best 9.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 9.62 | 9.595 | 0.2 | 2 |
| Platelet-derived growth factor receptor alpha CHEMBL2007 | IC50 | 9.62 | 9.62 | 0.2 | 1 |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 CHEMBL5393 | IC50 | 8.82 | 8.82 | 1.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-derived growth factor receptor alpha | IC50 | = | 0.24 | nM | 9.62 | Inhibition of PDGFRA (unknown origin) | 37657268 |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 0.24 | nM | 9.62 | Inhibition of KIT (unknown origin) | 37657268 |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 0.27 | nM | 9.57 | Inhibition of KIT D816V mutant (unknown origin) | 37657268 |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 | IC50 | = | 1.5 | nM | 8.82 | Inhibition of ABCG2 (unknown origin) | 35944339 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30204441 | 10.1021/acs.jmedchem.8b00938 | Mast/stem cell growth factor receptor Kit | 15 |
| 30204441 | 10.1021/acs.jmedchem.8b00938 | Platelet-derived growth factor receptor alpha | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 37657268 | 10.1016/j.ejmech.2023.115758 | Mast/stem cell growth factor receptor Kit | 2 |
| 30204441 | 10.1021/acs.jmedchem.8b00938 | BaF3 | 1 |
| 30204441 | 10.1021/acs.jmedchem.8b00938 | Vascular endothelial growth factor receptor 2 | 1 |
| 30204441 | 10.1021/acs.jmedchem.8b00938 | Platelet-derived growth factor receptor beta | 1 |
| 35944339 | 10.1016/j.ejmech.2022.114628 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | 1 |
| 37657268 | 10.1016/j.ejmech.2023.115758 | Platelet-derived growth factor receptor alpha | 1 |
Data from ChEMBL 36 via Core Engine