Compound Detail
CHEMBL110983
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Basic Information
| ChEMBL ID | CHEMBL110983 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YEIGRGPPDOBAOL-OAQYLSRUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
497.6
MW (Da)
4.63
ALogP
8
HBA
3
HBD
131.4
PSA (Ų)
0.09
QED
0
Ro5 Violations
21
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| M-phase inducer phosphatase 2 CHEMBL2723 | IC50 | 4.64 | 4.64 | 22900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| M-phase inducer phosphatase 2 | IC50 | = | 22900.0 | nM | 4.64 | Inhibitory activity against cell division cycle 25B | 11563920 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11563920 | 10.1021/jm0100741 | Dual specificity protein phosphatase 3 | 1 |
| 11563920 | 10.1021/jm0100741 | M-phase inducer phosphatase 2 | 1 |
| 11563920 | 10.1021/jm0100741 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine