Compound Detail
CHEMBL3182621
AZD-8330 Phase I
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Phase I
Basic Information
| ChEMBL ID | CHEMBL3182621 |
| Name | AZD-8330 |
| Phase | Phase I |
| Structure Type | MOL |
| InChI Key | RWEVIPRMPFNTLO-UHFFFAOYSA-N |
7
Targets
7
Activities
2
Assay Types
0
PK Parameters
20
Publications
5
Known Names
1
Indications
2
Mechanisms
Molecular Properties
461.2
MW (Da)
1.83
ALogP
6
HBA
3
HBD
92.6
PSA (Ų)
0.35
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 1 inhibitor | INHIBITOR | Dual specificity mitogen-activated protein kinase kinase 1 | ✓ | ✓ |
| Dual specificity mitogen-activated protein kinase kinase 2 inhibitor | INHIBITOR | Dual specificity mitogen-activated protein kinase kinase 2 | ✓ | ✓ |
Indications
Neoplasms
Activity Summary
Kd 4 meas. best 7.82
IC50 3 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase; MEK1/2 CHEMBL2111289 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Dual specificity mitogen-activated protein kinase kinase 2 CHEMBL2964 | Kd | 7.82 | 7.82 | 15.0 | 1 |
| Dual specificity mitogen-activated protein kinase kinase 1 CHEMBL3587 | Kd | 7.62 | 7.62 | 24.0 | 1 |
| Influenza A virus CHEMBL613740 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Eukaryotic translation initiation factor 2-alpha kinase 1 CHEMBL6029 | Kd | 5.74 | 5.74 | 1821.0 | 1 |
| Dual specificity mitogen-activated protein kinase kinase 5 CHEMBL4948 | Kd | 5.58 | 5.58 | 2657.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 7.0 | nM | 8.15 | Inhibition of MEK (unknown origin) | 33539089 |
| Dual specificity mitogen-activated protein kinase kinase; MEK1/2 | IC50 | = | 7.0 | nM | 8.15 | TBD: TBD | - |
| Dual specificity mitogen-activated protein kinase kinase 2 | Kd | = | 15.0 | nM | 7.82 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... | 29191878 |
| Dual specificity mitogen-activated protein kinase kinase 1 | Kd | = | 24.0 | nM | 7.62 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... | 29191878 |
| Influenza A virus | IC50 | = | 40.0 | nM | 7.4 | Antiviral activity against influenza A H1N1pdm09 | 33539089 |
| Eukaryotic translation initiation factor 2-alpha kinase 1 | Kd | = | 1821.0 | nM | 5.74 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... | 29191878 |
| Dual specificity mitogen-activated protein kinase kinase 5 | Kd | = | 2657.0 | nM | 5.58 | Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... | 29191878 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29191878 | 10.1126/science.aan4368 | Unchecked | 5 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 29191878 | 10.1126/science.aan4368 | Activin receptor type-2B | 1 |
| 29191878 | 10.1126/science.aan4368 | RAC-alpha serine/threonine-protein kinase | 1 |
| 29191878 | 10.1126/science.aan4368 | Adenylate kinase 2, mitochondrial | 1 |
| 29191878 | 10.1126/science.aan4368 | Adenosine kinase | 1 |
| 29191878 | 10.1126/science.aan4368 | Uncharacterized aarF domain-containing protein kinase 5 | 1 |
| 29191878 | 10.1126/science.aan4368 | Atypical kinase COQ8A, mitochondrial | 1 |
| 29191878 | 10.1126/science.aan4368 | AarF domain-containing protein kinase 1 | 1 |
| 29191878 | 10.1126/science.aan4368 | Activin receptor type-1-like | 1 |
| 29191878 | 10.1126/science.aan4368 | AP2-associated protein kinase 1 | 1 |
| 38157838 | 10.1016/j.bmc.2023.117561 | Unchecked | 1 |
| 29191878 | 10.1126/science.aan4368 | Activin receptor type-1 | 1 |
| 29191878 | 10.1126/science.aan4368 | Actin-related protein 3 | 1 |
| 29191878 | 10.1126/science.aan4368 | Actin-related protein 2 | 1 |
| 29191878 | 10.1126/science.aan4368 | Peroxisomal acyl-coenzyme A oxidase 3 | 1 |
| 29191878 | 10.1126/science.aan4368 | Very long-chain specific acyl-CoA dehydrogenase, mitochondrial | 1 |
| 29191878 | 10.1126/science.aan4368 | Acyl-CoA dehydrogenase family member 11 | 1 |
| 29191878 | 10.1126/science.aan4368 | Tyrosine-protein kinase ABL2 | 1 |
Data from ChEMBL 36 via Core Engine