Compound Detail
CHEMBL4458682
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Basic Information
| ChEMBL ID | CHEMBL4458682 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DLFZLQAHVYUWTR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
452.3
MW (Da)
5.38
ALogP
4
HBA
2
HBD
67.2
PSA (Ų)
0.41
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein phosphatase 1 CHEMBL6026 | IC50 | 5.32 | 5.32 | 4800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein phosphatase 1 | IC50 | = | 4800.0 | nM | 5.32 | Inhibition of His-tagged DUSP1 catalytic domain (152 to 323 residues) (unknown o... | 31103445 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31103445 | 10.1016/j.bmcl.2019.05.021 | Dual specificity protein phosphatase 1 | 2 |
| 31103445 | 10.1016/j.bmcl.2019.05.021 | Dual specificity protein phosphatase 3 | 1 |
Data from ChEMBL 36 via Core Engine