Compound Detail
CHEMBL5287448
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CNC(=O)c1cc(CNC(=O)c2ccc3c(c2)c(COc2ccc4[nH]ccc4c2)cn3S(C)(=O)=O)cc(=O)[nH]1
Basic Information
| ChEMBL ID | CHEMBL5287448 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRQGZVGFCPUFBJ-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
547.6
MW (Da)
2.49
ALogP
7
HBA
4
HBD
155.2
PSA (Ų)
0.23
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sentrin-specific protease 1 CHEMBL1909484 | IC50 | 5.12 | 4.65 | 7500.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sentrin-specific protease 1 | IC50 | = | 7500.0 | nM | 5.12 | Inhibition of human recombinant His6 tagged SENP1 catalytic domain expressed in ... | 35939992 |
| Sentrin-specific protease 1 | IC50 | = | 24000.0 | nM | 4.62 | Inhibition of human recombinant His6 tagged SENP1 catalytic domain expressed in ... | 35939992 |
| Sentrin-specific protease 1 | IC50 | = | 27000.0 | nM | 4.57 | Inhibition of human recombinant His6 tagged SENP1 catalytic domain expressed in ... | 35939992 |
| Sentrin-specific protease 1 | IC50 | = | 51000.0 | nM | 4.29 | 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