Compound Detail
CHEMBL5914455
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Nc1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1/N=N/c1ccc(S(=O)(=O)O)cc1
Basic Information
| ChEMBL ID | CHEMBL5914455 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPWGMYKQRGYORG-VHEBQXMUSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
487.5
MW (Da)
2.58
ALogP
9
HBA
4
HBD
213.8
PSA (Ų)
0.23
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 5.72 | 5.72 | 1900.0 | 2 |
| Sentrin-specific protease 2 CHEMBL2176776 | IC50 | 5.17 | 5.17 | 6800.0 | 2 |
| Sentrin-specific protease 2/Small ubiquitin-related modifier 1 CHEMBL6066556 | IC50 | 4.63 | 4.63 | 23600.0 | 1 |
| Sentrin-specific protease 2/Small ubiquitin-related modifier 2 CHEMBL6066557 | IC50 | 4.58 | 4.58 | 26600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sentrin-specific protease 7 | IC50 | = | 1900.0 | nM | 5.72 | Binding Assay: The binding of SPI-01 to the enzyme-substrate complex was investi... | - |
| Sentrin-specific protease 7 | IC50 | = | 1900.0 | nM | 5.72 | Enzyme Kinetic Assay: The inhibitors confer the non-competitive inhibitory mecha... | - |
| Sentrin-specific protease 2 | IC50 | = | 6800.0 | nM | 5.17 | Binding Assay: The binding of SPI-01 to the enzyme-substrate complex was investi... | - |
| Sentrin-specific protease 2 | IC50 | = | 6800.0 | nM | 5.17 | Enzyme Kinetic Assay: The inhibitors confer the non-competitive inhibitory mecha... | - |
| Sentrin-specific protease 2/Small ubiquitin-related modifier 1 | IC50 | = | 23600.0 | nM | 4.63 | Enzyme Kinetic Assay: The inhibitors confer the non-competitive inhibitory mecha... | - |
| Sentrin-specific protease 2/Small ubiquitin-related modifier 2 | IC50 | = | 26600.0 | nM | 4.58 | Enzyme Kinetic Assay: The inhibitors confer the non-competitive inhibitory mecha... | - |
Data from ChEMBL 36 via Core Engine