Compound Detail
CHEMBL1887272
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Basic Information
| ChEMBL ID | CHEMBL1887272 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VZEYKHUSXMMBQZ-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
379.3
MW (Da)
5.25
ALogP
4
HBA
1
HBD
55.1
PSA (Ų)
0.66
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 5.42 | 5.25 | 3800.0 | 2 |
| Sentrin-specific protease 8 CHEMBL1741207 | IC50 | 5.24 | 5.24 | 5700.0 | 1 |
| Caspase-3 CHEMBL2334 | IC50 | 5.23 | 5.095 | 5940.0 | 2 |
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 5.18 | 5.18 | 6660.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sentrin-specific protease 7 | IC50 | = | 3800.0 | nM | 5.42 | PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific ... | - |
| Sentrin-specific protease 8 | IC50 | = | 5700.0 | nM | 5.24 | PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific ... | - |
| Caspase-3 | IC50 | = | 5940.0 | nM | 5.23 | PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific ... | - |
| Sentrin-specific protease 6 | IC50 | = | 6660.0 | nM | 5.18 | PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific ... | - |
| Sentrin-specific protease 7 | IC50 | = | 8400.0 | nM | 5.08 | PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific ... | - |
| Caspase-3 | IC50 | = | 11000.0 | nM | 4.96 | PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific ... | - |
Data from ChEMBL 36 via Core Engine