Compound Detail
CHEMBL5561438
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Basic Information
| ChEMBL ID | CHEMBL5561438 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WPSXNXIWEUSCHP-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
298.2
MW (Da)
3.81
ALogP
2
HBA
2
HBD
70.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.01
Ki 2 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein phosphatase CDC14A CHEMBL1772926 | Ki | 5.24 | 5.24 | 5800.0 | 1 |
| Dual specificity protein phosphatase CDC14B CHEMBL6066204 | Ki | 5.14 | 5.14 | 7300.0 | 1 |
| Dual specificity protein phosphatase CDC14A CHEMBL1772926 | IC50 | 5.01 | 5.01 | 9850.0 | 1 |
| Dual specificity protein phosphatase CDC14B CHEMBL6066204 | IC50 | 4.95 | 4.95 | 11200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein phosphatase CDC14A | Ki | = | 5800.0 | nM | 5.24 | Competitive inhibition of human CDC14A using DiFMUP as substrate incubated for 1... | 38768084 |
| Dual specificity protein phosphatase CDC14B | Ki | = | 7300.0 | nM | 5.14 | Competitive inhibition of human CDC14B using DiFMUP as substrate incubated for 1... | 38768084 |
| Dual specificity protein phosphatase CDC14A | IC50 | = | 9850.0 | nM | 5.01 | Inhibition of human CDC14A using DiFMUP as substrate incubated for 10 mins by fl... | 38768084 |
| Dual specificity protein phosphatase CDC14B | IC50 | = | 11200.0 | nM | 4.95 | 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 | Unchecked | 11 |
| 38768084 | 10.1021/acs.jmedchem.4c00149 | Dual specificity protein phosphatase CDC14A | 2 |
| 38768084 | 10.1021/acs.jmedchem.4c00149 | Dual specificity protein phosphatase CDC14B | 2 |
| 38768084 | 10.1021/acs.jmedchem.4c00149 | Receptor-type tyrosine-protein phosphatase C | 1 |
| 38768084 | 10.1021/acs.jmedchem.4c00149 | Laforin | 1 |
| 38768084 | 10.1021/acs.jmedchem.4c00149 | Dual specificity protein phosphatase 10 | 1 |
| 38768084 | 10.1021/acs.jmedchem.4c00149 | Tyrosine-protein phosphatase non-receptor type 11 | 1 |
| 38768084 | 10.1021/acs.jmedchem.4c00149 | Tyrosine-protein phosphatase non-receptor type 6 | 1 |
| 38768084 | 10.1021/acs.jmedchem.4c00149 | Tyrosine-protein phosphatase non-receptor type 2 | 1 |
| 38768084 | 10.1021/acs.jmedchem.4c00149 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 38768084 | 10.1021/acs.jmedchem.4c00149 | Tyrosine-protein phosphatase non-receptor type 22 | 1 |
| 38768084 | 10.1021/acs.jmedchem.4c00149 | Tyrosine-protein phosphatase non-receptor type 5 | 1 |
| 38768084 | 10.1021/acs.jmedchem.4c00149 | ADMET | 1 |
| 38768084 | 10.1021/acs.jmedchem.4c00149 | Tyrosine-protein phosphatase non-receptor type 13 | 1 |
Data from ChEMBL 36 via Core Engine