Compound Detail
CHEMBL507159
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Basic Information
| ChEMBL ID | CHEMBL507159 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WGEZAODXRMUXFG-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
7
Publications
1
Known Names
Molecular Properties
359.4
MW (Da)
3.09
ALogP
5
HBA
2
HBD
96.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.07
Ki 2 meas. best 4.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| M-phase inducer phosphatase 2 CHEMBL4804 | Ki | 4.08 | 4.08 | 84000.0 | 1 |
| M-phase inducer phosphatase 1 CHEMBL3775 | IC50 | 4.07 | 4.07 | 86000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| M-phase inducer phosphatase 2 | Ki | = | 84000.0 | nM | 4.08 | Competitive inhibition of recombinant phosphatase activity of Cdc25B catalytic d... | 22524450 |
| M-phase inducer phosphatase 1 | IC50 | = | 86000.0 | nM | 4.07 | Inhibition of recombinant phosphatase activity of Cdc25A catalytic domain expres... | 22524450 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22524450 | 10.1021/jm201624h | MCF7 | 7 |
| 22524450 | 10.1021/jm201624h | M-phase inducer phosphatase 2 | 6 |
| 22524450 | 10.1021/jm201624h | M-phase inducer phosphatase 1 | 3 |
| 18808096 | 10.1021/jm800718k | Hormone-sensitive lipase | 1 |
| 22524450 | 10.1021/jm201624h | M-phase inducer phosphatase 3 | 1 |
| 22524450 | 10.1021/jm201624h | K562 | 1 |
| 22524450 | 10.1021/jm201624h | PC-3 | 1 |
Data from ChEMBL 36 via Core Engine