Compound Detail
CHEMBL5289965
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CS(=O)(=O)n1cc(COc2ccc3[nH]ccc3c2)c2cc(C(=O)OCc3cc(C#N)[nH]c(=O)c3)ccc21
Basic Information
| ChEMBL ID | CHEMBL5289965 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ILUBXGLQULCOCH-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
516.5
MW (Da)
3.43
ALogP
8
HBA
2
HBD
147.0
PSA (Ų)
0.32
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sentrin-specific protease 1 CHEMBL1909484 | IC50 | 6.0 | 5.6175 | 1000.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sentrin-specific protease 1 | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of human recombinant His6 tagged SENP1 catalytic domain expressed in ... | 35939992 |
| Sentrin-specific protease 1 | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of human recombinant His6 tagged SENP1 catalytic domain expressed in ... | 35939992 |
| Sentrin-specific protease 1 | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of human recombinant His6 tagged SENP1 catalytic domain expressed in ... | 35939992 |
| Sentrin-specific protease 1 | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of human recombinant SENP1 catalytic domain expressed in Escherichia ... | 35939992 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35939992 | 10.1016/j.ejmech.2022.114650 | Sentrin-specific protease 1 | 4 |
Data from ChEMBL 36 via Core Engine