Compound Detail
CHEMBL559679
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Basic Information
| ChEMBL ID | CHEMBL559679 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BXXXUWYBQAPFNF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
354.4
MW (Da)
2.83
ALogP
8
HBA
2
HBD
101.1
PSA (Ų)
0.40
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| M-phase inducer phosphatase 2 CHEMBL4804 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
| M-phase inducer phosphatase 1 CHEMBL3775 | IC50 | 5.15 | 5.15 | 7100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| M-phase inducer phosphatase 2 | IC50 | = | 2600.0 | nM | 5.58 | Inhibition of N-terminal 6xHis-tagged (378-566) catalytic domain of Cdc25B expre... | 19497739 |
| M-phase inducer phosphatase 1 | IC50 | = | 7100.0 | nM | 5.15 | Inhibition of N-terminal 6xHis-tagged human Cdc25A (336-523) catalytic domain ex... | 19497739 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19497739 | 10.1016/j.bmcl.2009.05.084 | M-phase inducer phosphatase 1 | 1 |
| 19497739 | 10.1016/j.bmcl.2009.05.084 | M-phase inducer phosphatase 2 | 1 |
Data from ChEMBL 36 via Core Engine