Compound Detail
CHEMBL2107832
PIMASERTIB 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL2107832 |
| Name | PIMASERTIB |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | VIUAUNHCRHHYNE-JTQLQIEISA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
20
Publications
12
Known Names
15
Indications
2
Mechanisms
Molecular Properties
431.2
MW (Da)
1.65
ALogP
5
HBA
4
HBD
94.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
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
Leukemia, Myeloid, Acute Melanoma Melanoma Ovarian Neoplasms Adenocarcinoma Astrocytoma Breast Neoplasms Carcinoma, Hepatocellular Carcinoma, Non-Small-Cell Lung Colorectal Neoplasms Neoplasms Neoplasms Pancreatic Neoplasms Thyroid Neoplasms Urinary Bladder Neoplasms
Activity Summary
Kd 4 meas. best 7.96
IC50 2 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 1 CHEMBL3587 | IC50 | 8.74 | 8.605 | 1.8 | 2 |
| Isoleucine--tRNA ligase, mitochondrial CHEMBL4105821 | Kd | 7.96 | 7.96 | 11.0 | 1 |
| Dual specificity mitogen-activated protein kinase kinase 1 CHEMBL3587 | Kd | 7.54 | 7.54 | 29.0 | 1 |
| Dual specificity mitogen-activated protein kinase kinase 2 CHEMBL2964 | Kd | 7.42 | 7.42 | 38.0 | 1 |
| Protein kinase C zeta type CHEMBL3438 | Kd | 4.98 | 4.98 | 10378.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 6 |
| 29191878 | 10.1126/science.aan4368 | Unchecked | 5 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 3 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 24755426 | 10.1016/j.bmcl.2014.03.086 | Dual specificity mitogen-activated protein kinase kinase 1 | 2 |
| 29191878 | 10.1126/science.aan4368 | Actin-related protein 2 | 1 |
| 29191878 | 10.1126/science.aan4368 | Beta-adrenergic receptor kinase 1 | 1 |
| 29191878 | 10.1126/science.aan4368 | Adenosine kinase | 1 |
| 38157838 | 10.1016/j.bmc.2023.117561 | Unchecked | 1 |
| 29191878 | 10.1126/science.aan4368 | Activin receptor type-2B | 1 |
| 29191878 | 10.1126/science.aan4368 | Activin receptor type-1B | 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 | Peroxisomal acyl-coenzyme A oxidase 3 | 1 |
| 29191878 | 10.1126/science.aan4368 | Peroxisomal acyl-coenzyme A oxidase 1 | 1 |
| 29191878 | 10.1126/science.aan4368 | Acyl-CoA dehydrogenase family member 11 | 1 |
| 29191878 | 10.1126/science.aan4368 | Acyl-CoA dehydrogenase family member 10 | 1 |
| 29191878 | 10.1126/science.aan4368 | Tyrosine-protein kinase ABL2 | 1 |
| 29191878 | 10.1126/science.aan4368 | Tyrosine-protein kinase ABL1 | 1 |
Data from ChEMBL 36 via Core Engine