Compound Detail
CHEMBL4875545
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Basic Information
| ChEMBL ID | CHEMBL4875545 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WQCBLPJCIOITFM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
409.4
MW (Da)
4.37
ALogP
4
HBA
2
HBD
91.9
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 4 CHEMBL2897 | IC50 | 6.07 | 6.07 | 860.0 | 1 |
| Dual specificity mitogen-activated protein kinase kinase 7 CHEMBL3530 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 4 | IC50 | = | 860.0 | nM | 6.07 | Inhibition of human recombinant full length N-terminal GST tagged MEK4 expressed... | 34676038 |
| Dual specificity mitogen-activated protein kinase kinase 7 | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of human recombinant full length N-terminal GST tagged MEK7 expressed... | 34676038 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34676038 | 10.1021/acsmedchemlett.1c00376 | Dual specificity mitogen-activated protein kinase kinase 4 | 1 |
| 34676038 | 10.1021/acsmedchemlett.1c00376 | Dual specificity mitogen-activated protein kinase kinase 7 | 1 |
| 34676038 | 10.1021/acsmedchemlett.1c00376 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine