Compound Detail
CHEMBL4781794
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Nc1ccc2ccccc2c1/N=N/c1ccc(/C=C/c2ccc(/N=N/c3cccc4ccccc34)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1
Basic Information
| ChEMBL ID | CHEMBL4781794 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DGSLYKNWKLRQGK-DJOICOCKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
663.7
MW (Da)
9.07
ALogP
9
HBA
3
HBD
184.2
PSA (Ų)
0.06
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sentrin-specific protease 2 CHEMBL2176776 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Sentrin-specific protease 1 CHEMBL1909484 | IC50 | 5.73 | 5.73 | 1880.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sentrin-specific protease 2 | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of human His-tagged SENP2 (364 to 589 residues) expressed in Escheric... | 32717481 |
| Sentrin-specific protease 1 | IC50 | = | 1880.0 | nM | 5.73 | Inhibition of human His-tagged SENP1 (419 to 644 residues) expressed in Escheric... | 32717481 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32717481 | 10.1016/j.ejmech.2020.112553 | Sentrin-specific protease 1 | 1 |
| 32717481 | 10.1016/j.ejmech.2020.112553 | Sentrin-specific protease 2 | 1 |
Data from ChEMBL 36 via Core Engine