Compound Detail
CHEMBL181402
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Basic Information
| ChEMBL ID | CHEMBL181402 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTUAZBDUOANPSM-GRDTVODISA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
388.5
MW (Da)
6.17
ALogP
2
HBA
2
HBD
66.8
PSA (Ų)
0.46
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| M-phase inducer phosphatase 2 CHEMBL4804 | IC50 | 5.17 | 5.17 | 6800.0 | 1 |
| M-phase inducer phosphatase 1 CHEMBL3775 | IC50 | 4.61 | 4.61 | 24500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| M-phase inducer phosphatase 2 | IC50 | = | 6800.0 | nM | 5.17 | Inhibitory concentration against dual-specificity phosphatase Cell division cycl... | 15261298 |
| M-phase inducer phosphatase 1 | IC50 | = | 24500.0 | nM | 4.61 | Inhibitory concentration against dual-specificity phosphatase Cell division cycl... | 15261298 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15261298 | 10.1016/j.bmcl.2004.05.083 | M-phase inducer phosphatase 1 | 1 |
| 15261298 | 10.1016/j.bmcl.2004.05.083 | M-phase inducer phosphatase 2 | 1 |
Data from ChEMBL 36 via Core Engine