Compound Detail
CHEMBL5590420
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Basic Information
| ChEMBL ID | CHEMBL5590420 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | REFWSHQGNKPYHH-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
283.4
MW (Da)
3.52
ALogP
4
HBA
1
HBD
52.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 1 CHEMBL3587 | IC50 | 5.36 | 5.36 | 4350.0 | 1 |
| Mitogen-activated protein kinase; ERK1/ERK2 CHEMBL1907606 | IC50 | 4.86 | 4.86 | 13800.0 | 1 |
| HT-1080 CHEMBL614580 | IC50 | 4.53 | 4.53 | 29500.0 | 1 |
| WiDr CHEMBL614647 | IC50 | 4.52 | 4.52 | 30500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 1 | IC50 | = | 4350.0 | nM | 5.36 | Inhibition of RAF1- induced activation of MEK (unknown origin) signalling pathwa... | 38870715 |
| Mitogen-activated protein kinase; ERK1/ERK2 | IC50 | = | 13800.0 | nM | 4.86 | Inhibition of RAF1- induced activation of MEK (unknown origin) signalling pathwa... | 38870715 |
| HT-1080 | IC50 | = | 29500.0 | nM | 4.53 | Antiproliferative activity against human HT-1080 cells assessed as reduction in ... | 38870715 |
| WiDr | IC50 | = | 30500.0 | nM | 4.52 | Antiproliferative activity against human WiDr cells assessed as reduction in cel... | 38870715 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38870715 | 10.1016/j.bmc.2024.117791 | Dual specificity mitogen-activated protein kinase kinase 1 | 1 |
| 38870715 | 10.1016/j.bmc.2024.117791 | Mitogen-activated protein kinase; ERK1/ERK2 | 1 |
| 38870715 | 10.1016/j.bmc.2024.117791 | HT-1080 | 1 |
| 38870715 | 10.1016/j.bmc.2024.117791 | WiDr | 1 |
Data from ChEMBL 36 via Core Engine