Compound Detail
CHEMBL1896451
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Basic Information
| ChEMBL ID | CHEMBL1896451 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKQJINJXTLYWDJ-GDNBJRDFSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
345.4
MW (Da)
3.88
ALogP
6
HBA
0
HBD
81.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Caspase-3 CHEMBL2334 | IC50 | 5.67 | 5.67 | 2160.0 | 1 |
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 5.32 | 5.32 | 4820.0 | 1 |
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 5.27 | 5.27 | 5420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Caspase-3 | IC50 | = | 2160.0 | nM | 5.67 | PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific ... | - |
| Sentrin-specific protease 6 | IC50 | = | 4820.0 | nM | 5.32 | PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific ... | - |
| Sentrin-specific protease 7 | IC50 | = | 5420.0 | nM | 5.27 | PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific ... | - |
Data from ChEMBL 36 via Core Engine