Compound Detail
CHEMBL1582654
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Basic Information
| ChEMBL ID | CHEMBL1582654 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AZLSXDRFOWQWMJ-UHFFFAOYSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
294.8
MW (Da)
4.26
ALogP
4
HBA
1
HBD
42.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 5.87 | 5.77 | 1350.0 | 2 |
| Sentrin-specific protease 8 CHEMBL1741207 | IC50 | 5.81 | 5.7 | 1560.0 | 2 |
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 5.55 | 5.55 | 2830.0 | 1 |
| Caspase-3 CHEMBL2334 | IC50 | 5.48 | 5.23 | 3280.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sentrin-specific protease 7 | IC50 | = | 1350.0 | nM | 5.87 | PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific ... | - |
| Sentrin-specific protease 8 | IC50 | = | 1560.0 | nM | 5.81 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Sentrin-specific protease 7 | IC50 | = | 2160.0 | nM | 5.67 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Sentrin-specific protease 8 | IC50 | = | 2550.0 | nM | 5.59 | PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific ... | - |
| Sentrin-specific protease 6 | IC50 | = | 2830.0 | nM | 5.55 | PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific ... | - |
| Caspase-3 | IC50 | = | 3280.0 | nM | 5.48 | PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific ... | - |
| Caspase-3 | IC50 | = | 10500.0 | nM | 4.98 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific p... | - |
Data from ChEMBL 36 via Core Engine