Compound Detail
CHEMBL495727
AT-9283 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL495727 |
| Name | AT-9283 |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | LOLPPWBBNUVNQZ-UHFFFAOYSA-N |
144
Targets
219
Activities
2
Assay Types
14
PK Parameters
20
Publications
3
Known Names
4
Indications
6
Mechanisms
Molecular Properties
381.4
MW (Da)
2.07
ALogP
5
HBA
4
HBD
111.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Tyrosine-protein kinase ABL inhibitor | INHIBITOR | Tyrosine-protein kinase ABL1 | ✓ | ✓ |
| Serine/threonine-protein kinase Aurora-A inhibitor | INHIBITOR | Aurora kinase A | ✓ | ✓ |
| Serine/threonine-protein kinase Aurora-B inhibitor | INHIBITOR | Aurora kinase B | ✓ | ✓ |
| Tyrosine-protein kinase receptor FLT3 inhibitor | INHIBITOR | Receptor-type tyrosine-protein kinase FLT3 | ✓ | ✓ |
| Tyrosine-protein kinase JAK2 inhibitor | INHIBITOR | Tyrosine-protein kinase JAK2 | ✓ | ✓ |
| Tyrosine-protein kinase JAK3 inhibitor | INHIBITOR | Tyrosine-protein kinase JAK3 | ✓ | ✓ |
Indications
Multiple Myeloma Leukemia Lymphoma, Non-Hodgkin Neoplasms
Activity Summary
Kd 122 meas. best 8.52
IC50 97 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 3 CHEMBL1955 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Tyrosine-protein kinase Yes CHEMBL2073 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 9.0 | 8.79 | 1.0 | 7 |
| Ribosomal protein S6 kinase alpha-3 CHEMBL2345 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 9.0 | 8.167 | 1.0 | 10 |
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | IC50 | 9.0 | 7.885 | 1.0 | 4 |
| Ribosomal protein S6 kinase alpha-2 CHEMBL3906 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 9.0 | 8.5 | 1.0 | 2 |
| Tyrosine-protein kinase Mer CHEMBL5331 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Aurora kinase B CHEMBL2185 | IC50 | 8.57 | 7.868 | 2.7 | 5 |
| cAMP-dependent protein kinase catalytic subunit gamma CHEMBL2743 | Kd | 8.52 | 8.52 | 3.0 | 1 |
| Aurora kinase A CHEMBL4722 | IC50 | 8.52 | 8.1933 | 3.0 | 3 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | Kd | 8.48 | 8.22 | 3.3 | 2 |
| Tyrosine-protein kinase ABL1 CHEMBL1862 | IC50 | 8.4 | 8.3 | 4.0 | 4 |
| Glycogen synthase kinase-3 alpha CHEMBL2850 | Kd | 8.22 | 8.22 | 6.0 | 1 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | Kd | 8.18 | 8.18 | 6.6 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | Kd | 8.15 | 8.15 | 7.0 | 1 |
| Hepatocyte growth factor receptor CHEMBL3717 | Kd | 8.15 | 8.15 | 7.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 8.15 | 7.285 | 7.0 | 2 |
| MCF7 CHEMBL387 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| A549 CHEMBL392 | IC50 | 8.15 | 7.22 | 7.0 | 2 |
| HCT-116 CHEMBL394 | IC50 | 8.15 | 7.7067 | 7.0 | 3 |
| SW-620 CHEMBL612262 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| A2780 CHEMBL614004 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| MIA PaCa-2 CHEMBL614725 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Ephrin type-A receptor 7 CHEMBL4602 | Kd | 8.1 | 8.1 | 8.0 | 1 |
| Cyclin-dependent kinase 10 CHEMBL1795191 | Kd | 8.05 | 8.05 | 9.0 | 1 |
| Vascular endothelial growth factor receptor 1 CHEMBL1868 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 8.0 | 8.0 | 10.0 | 2 |
| Platelet-derived growth factor receptor alpha CHEMBL2007 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Ribosomal protein S6 kinase alpha-4 CHEMBL3125 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 8.0 | 8.0 | 10.0 | 2 |
| Serine/threonine-protein kinase D1 CHEMBL3863 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Serine/threonine-protein kinase 17A CHEMBL4525 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial CHEMBL4766 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | Kd | 7.96 | 7.96 | 11.0 | 1 |
| BaF3 CHEMBL614524 | IC50 | 7.96 | 7.8833 | 11.0 | 3 |
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | Kd | 7.92 | 7.235 | 12.0 | 2 |
| Ephrin type-B receptor 6 CHEMBL5836 | Kd | 7.92 | 7.92 | 12.0 | 1 |
| Activin receptor type-1-like CHEMBL5311 | Kd | 7.82 | 7.82 | 15.0 | 1 |
| SET-2 CHEMBL4523566 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| Aurora kinase A CHEMBL4722 | Kd | 7.8 | 7.565 | 16.0 | 2 |
| Ribosomal protein S6 kinase alpha-6 CHEMBL4924 | Kd | 7.8 | 7.8 | 16.0 | 1 |
| TF-1 CHEMBL612552 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| HEL CHEMBL613888 | IC50 | 7.8 | 6.22 | 16.0 | 7 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1.9 | uM.hr | Mus musculus |
| AUC | 0.91 | uM.hr | Mus musculus |
| AUC | 7.7 | uM.hr | Mus musculus |
| CL | 8.32 | mL.min-1.g-1 | Homo sapiens |
| CL | 3.0 | uL.min-1.(10^6cells)-1 | Rattus norvegicus |
| Cmax | 4900.0 | nM | Mus musculus |
| Cmax | 450.0 | nM | Mus musculus |
| Cmax | 8400.0 | nM | Mus musculus |
| F | 24.0 | % | Mus musculus |
| F | 100.0 | % | Mus musculus |
| F | 24.0 | % | Mus musculus |
| T1/2 | 0.5 | hr | Mus musculus |
| T1/2 | 2.5 | hr | Mus musculus |
| T1/2 | 2.5 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5724801 | Fibroblast | 320 |
| - | 10.6019/CHEMBL5724801 | U2OS | 320 |
| - | 10.6019/CHEMBL5724801 | HEK-293T | 320 |
| 19143567 | 10.1021/jm800984v | Mus musculus | 13 |
| 36805946 | 10.1016/j.ejmech.2023.115198 | HEL | 9 |
| - | 10.6019/CHEMBL5303304 | U2OS | 8 |
| - | 10.6019/CHEMBL5303304 | HEK-293T | 8 |
| 29191878 | 10.1126/science.aan4368 | Unchecked | 5 |
| 33109396 | 10.1016/j.ejmech.2020.112934 | HCT-116 | 5 |
| 33109396 | 10.1016/j.ejmech.2020.112934 | K562 | 5 |
| 38843875 | 10.1021/acs.jmedchem.4c00197 | Unchecked | 5 |
| 33691794 | 10.1186/s13148-021-01037-1 | A549 | 4 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| - | 10.6019/CHEMBL5303304 | Fibroblast | 4 |
| 38843875 | 10.1021/acs.jmedchem.4c00197 | Non-receptor tyrosine-protein kinase TYK2 | 3 |
| - | 10.6019/CHEMBL3885741 | Aurora kinase A | 3 |
| 19143567 | 10.1021/jm800984v | No relevant target | 3 |
| 38843875 | 10.1021/acs.jmedchem.4c00197 | Tyrosine-protein kinase JAK1 | 3 |
| 38843875 | 10.1021/acs.jmedchem.4c00197 | Tyrosine-protein kinase JAK2 | 3 |
| - | 10.6019/CHEMBL3301361 | ADMET | 3 |
Data from ChEMBL 36 via Core Engine