Compound Detail
CHEMBL1765352
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Basic Information
| ChEMBL ID | CHEMBL1765352 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZQYYSPRKFNDCEX-VHSXEESVSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
368.1
MW (Da)
2.53
ALogP
3
HBA
0
HBD
51.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| M-phase inducer phosphatase 1 CHEMBL3775 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| M-phase inducer phosphatase 3 CHEMBL2378 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
| M-phase inducer phosphatase 2 CHEMBL4804 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| M-phase inducer phosphatase 1 | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of human Cdc25A | 21420867 |
| M-phase inducer phosphatase 2 | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of human Cdc25B | 21420867 |
| M-phase inducer phosphatase 3 | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of human Cdc25C | 21420867 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21420867 | 10.1016/j.bmc.2011.02.047 | M-phase inducer phosphatase 1 | 1 |
| 21420867 | 10.1016/j.bmc.2011.02.047 | M-phase inducer phosphatase 2 | 1 |
| 21420867 | 10.1016/j.bmc.2011.02.047 | M-phase inducer phosphatase 3 | 1 |
Data from ChEMBL 36 via Core Engine