Compound Detail
CHEMBL1891588
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Basic Information
| ChEMBL ID | CHEMBL1891588 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NDVYQXXAKHEWLQ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
308.8
MW (Da)
4.57
ALogP
4
HBA
1
HBD
42.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Caspase-3 CHEMBL2334 | IC50 | 6.32 | 6.32 | 480.0 | 1 |
| Sentrin-specific protease 8 CHEMBL1741207 | IC50 | 6.21 | 6.21 | 620.0 | 1 |
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 6.18 | 6.18 | 660.0 | 1 |
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 6.12 | 6.12 | 750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Caspase-3 | IC50 | = | 480.0 | nM | 6.32 | PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific ... | - |
| Sentrin-specific protease 8 | IC50 | = | 620.0 | nM | 6.21 | PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific ... | - |
| Sentrin-specific protease 6 | IC50 | = | 660.0 | nM | 6.18 | PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific ... | - |
| Sentrin-specific protease 7 | IC50 | = | 750.0 | nM | 6.12 | PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific ... | - |
Data from ChEMBL 36 via Core Engine