Compound Detail
CHEMBL1241589
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Basic Information
| ChEMBL ID | CHEMBL1241589 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJDKPLZUXCIMIS-HMMYKYKNSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
317.4
MW (Da)
4.93
ALogP
2
HBA
1
HBD
29.1
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.94
EC50 1 meas. best 4.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein phosphatase CHEMBL4523361 | EC50 | 4.94 | 4.94 | 11400.0 | 1 |
| Dual specificity protein phosphatase 1 CHEMBL6026 | IC50 | 4.94 | 4.94 | 11500.0 | 1 |
| Dual specificity protein phosphatase 6 CHEMBL1250381 | IC50 | 4.91 | 4.91 | 12300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein phosphatase | EC50 | = | 11400.0 | nM | 4.94 | Inhibition of Dusp6 in (Tg(Dusp6:d2EGFP)pt6) transgenic Zebrafish assessed as ac... | - |
| Dual specificity protein phosphatase 1 | IC50 | = | 11500.0 | nM | 4.94 | Inhibition of Myc-tagged human Dusp1 expressed in TPA-induced human HeLa cells a... | 19578332 |
| Dual specificity protein phosphatase 6 | IC50 | = | 12300.0 | nM | 4.91 | Inhibition of Myc-tagged human Dusp6 expressed in TPA-induced human HeLa cells a... | 19578332 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19578332 | 10.1038/nchembio.190 | Dual specificity protein phosphatase 6 | 20 |
| 19578332 | 10.1038/nchembio.190 | Unchecked | 11 |
| 19578332 | 10.1038/nchembio.190 | M-phase inducer phosphatase 2 | 2 |
| 19578332 | 10.1038/nchembio.190 | Tyrosine-protein phosphatase non-receptor type 1 | 2 |
| 19578332 | 10.1038/nchembio.190 | Dual specificity protein phosphatase 3 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 19578332 | 10.1038/nchembio.190 | Dual specificity protein phosphatase 1 | 1 |
| 19578332 | 10.1038/nchembio.190 | Dual specificity protein phosphatase 5 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine