Compound Detail
CHEMBL5563039
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Basic Information
| ChEMBL ID | CHEMBL5563039 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HFDIQCMAXBQVFD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
460.3
MW (Da)
6.64
ALogP
2
HBA
2
HBD
70.7
PSA (Ų)
0.27
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein phosphatase CDC14A CHEMBL1772926 | IC50 | 5.56 | 5.56 | 2780.0 | 1 |
| Dual specificity protein phosphatase CDC14B CHEMBL6066204 | IC50 | 5.42 | 5.42 | 3760.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein phosphatase CDC14A | IC50 | = | 2780.0 | nM | 5.56 | Inhibition of human CDC14A using DiFMUP as substrate incubated for 10 mins by fl... | 38768084 |
| Dual specificity protein phosphatase CDC14B | IC50 | = | 3760.0 | nM | 5.42 | Inhibition of human CDC14B using DiFMUP as substrate incubated for 10 mins by fl... | 38768084 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38768084 | 10.1021/acs.jmedchem.4c00149 | Dual specificity protein phosphatase CDC14A | 1 |
| 38768084 | 10.1021/acs.jmedchem.4c00149 | Dual specificity protein phosphatase CDC14B | 1 |
Data from ChEMBL 36 via Core Engine