Compound Detail
CHEMBL1553773
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Basic Information
| ChEMBL ID | CHEMBL1553773 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VGOIHDHZVUWSQS-JXMROGBWSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
282.3
MW (Da)
3.75
ALogP
4
HBA
1
HBD
59.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 5.82 | 5.26 | 1530.0 | 2 |
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 5.8 | 5.765 | 1600.0 | 2 |
| Sentrin-specific protease 8 CHEMBL1741207 | IC50 | 5.79 | 5.79 | 1640.0 | 1 |
| Caspase-3 CHEMBL2334 | IC50 | 5.59 | 5.425 | 2550.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sentrin-specific protease 6 | IC50 | = | 1530.0 | nM | 5.82 | PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific ... | - |
| Sentrin-specific protease 7 | IC50 | = | 1600.0 | nM | 5.8 | PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific ... | - |
| Sentrin-specific protease 8 | IC50 | = | 1640.0 | nM | 5.79 | PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific ... | - |
| Sentrin-specific protease 7 | IC50 | = | 1870.0 | nM | 5.73 | PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific ... | - |
| Caspase-3 | IC50 | = | 2550.0 | nM | 5.59 | PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific ... | - |
| Caspase-3 | IC50 | = | 5500.0 | nM | 5.26 | PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific ... | - |
| Sentrin-specific protease 6 | IC50 | = | 20000.0 | nM | 4.7 | PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific ... | - |
Data from ChEMBL 36 via Core Engine