Compound Detail
CHEMBL228420
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Basic Information
| ChEMBL ID | CHEMBL228420 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ISMLXUVVBRLIPH-KTKRTIGZSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
406.6
MW (Da)
6.27
ALogP
4
HBA
1
HBD
80.7
PSA (Ų)
0.13
QED
1
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| M-phase inducer phosphatase 1 CHEMBL3775 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
| M-phase inducer phosphatase 2 CHEMBL4804 | IC50 | 5.17 | 5.17 | 6700.0 | 1 |
| M-phase inducer phosphatase 3 CHEMBL2378 | IC50 | 5.06 | 5.06 | 8800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| M-phase inducer phosphatase 1 | IC50 | = | 4500.0 | nM | 5.35 | Inhibition of human GST-Cdc25A expressed in Escherichia coli BL21(DE3) | 17084000 |
| M-phase inducer phosphatase 2 | IC50 | = | 6700.0 | nM | 5.17 | Inhibition of human GST-Cdc25B expressed in Escherichia coli BL21(DE3) | 17084000 |
| M-phase inducer phosphatase 3 | IC50 | = | 8800.0 | nM | 5.06 | Inhibition of human GST-Cdc25C expressed in Escherichia coli BL21(DE3) | 17084000 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17084000 | 10.1016/j.ejmech.2006.09.014 | M-phase inducer phosphatase 1 | 1 |
| 17084000 | 10.1016/j.ejmech.2006.09.014 | M-phase inducer phosphatase 2 | 1 |
| 17084000 | 10.1016/j.ejmech.2006.09.014 | M-phase inducer phosphatase 3 | 1 |
| 17084000 | 10.1016/j.ejmech.2006.09.014 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine