Compound Detail
CHEMBL476649
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Basic Information
| ChEMBL ID | CHEMBL476649 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YVPMPBRRDXCSDN-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
228.2
MW (Da)
1.71
ALogP
3
HBA
0
HBD
46.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A2780 CHEMBL614004 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| M-phase inducer phosphatase 2 CHEMBL4804 | IC50 | 4.65 | 4.65 | 22300.0 | 1 |
| Dual specificity protein phosphatase 6 CHEMBL5511 | IC50 | 4.3 | 4.3 | 49900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A2780 | IC50 | = | 1400.0 | nM | 5.85 | Antiproliferative activity against human A2780 cells after 2 days by alamar-blue... | 19028102 |
| M-phase inducer phosphatase 2 | IC50 | = | 22300.0 | nM | 4.65 | Inhibition of histidine-tagged human recombinant Cdc25B catalytic domain express... | 19028102 |
| Dual specificity protein phosphatase 6 | IC50 | = | 49900.0 | nM | 4.3 | Inhibition of histidine-tagged rat recombinant MKP3 catalytic domain expressed i... | 19028102 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19028102 | 10.1016/j.bmc.2008.10.090 | A2780 | 1 |
| 19028102 | 10.1016/j.bmc.2008.10.090 | M-phase inducer phosphatase 2 | 1 |
| 19028102 | 10.1016/j.bmc.2008.10.090 | Dual specificity protein phosphatase 6 | 1 |
| 19028102 | 10.1016/j.bmc.2008.10.090 | Dual specificity protein phosphatase 1 | 1 |
Data from ChEMBL 36 via Core Engine