Compound Detail
CHEMBL5087942
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Basic Information
| ChEMBL ID | CHEMBL5087942 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SGNNZUSCIZLCCV-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
417.4
MW (Da)
5.93
ALogP
4
HBA
1
HBD
70.3
PSA (Ų)
0.39
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.24
IC50 1 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 1 CHEMBL3587 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.24 | 5.24 | 5800.0 | 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 | = | 2600.0 | nM | 5.58 | Inhibition of full-length human MEK1 by TR-FRET assay | 35195996 |
| Unchecked | EC50 | = | 5800.0 | nM | 5.24 | Inhibition of ERK phosphorylation in human A-375 cells incubated for 3 hrs by DE... | 35195996 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35195996 | 10.1021/acs.jmedchem.1c02192 | Dual specificity mitogen-activated protein kinase kinase 1 | 1 |
| 35195996 | 10.1021/acs.jmedchem.1c02192 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine