Compound Detail
CHEMBL508233
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Basic Information
| ChEMBL ID | CHEMBL508233 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWXLNXHEUIUNRF-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
212.2
MW (Da)
2.50
ALogP
2
HBA
0
HBD
34.1
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 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A2780 CHEMBL614004 | IC50 | 6.12 | 6.12 | 750.0 | 1 |
| M-phase inducer phosphatase 2 CHEMBL4804 | IC50 | 5.02 | 5.02 | 9530.0 | 1 |
| Dual specificity protein phosphatase 1 CHEMBL5623 | IC50 | 4.66 | 4.66 | 21800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A2780 | IC50 | = | 750.0 | nM | 6.12 | Antiproliferative activity against human A2780 cells after 2 days by alamar-blue... | 19028102 |
| M-phase inducer phosphatase 2 | IC50 | = | 9530.0 | nM | 5.02 | Inhibition of histidine-tagged human recombinant Cdc25B catalytic domain express... | 19028102 |
| Dual specificity protein phosphatase 1 | IC50 | = | 21800.0 | nM | 4.66 | Inhibition of histidine-tagged mouse MKP1 catalytic domain expressed in human He... | 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 1 | 1 |
| 19028102 | 10.1016/j.bmc.2008.10.090 | Dual specificity protein phosphatase 6 | 1 |
Data from ChEMBL 36 via Core Engine