Compound Detail
CHEMBL1868274
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Basic Information
| ChEMBL ID | CHEMBL1868274 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMMOBGPTOLXOEW-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
260.3
MW (Da)
3.61
ALogP
4
HBA
1
HBD
42.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 5.68 | 5.68 | 2070.0 | 1 |
| Sentrin-specific protease 8 CHEMBL1741207 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 5.6 | 5.585 | 2500.0 | 2 |
| Caspase-3 CHEMBL2334 | IC50 | 5.16 | 4.65 | 6860.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sentrin-specific protease 6 | IC50 | = | 2070.0 | nM | 5.68 | PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific ... | - |
| Sentrin-specific protease 8 | IC50 | = | 2200.0 | nM | 5.66 | PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific ... | - |
| Sentrin-specific protease 7 | IC50 | = | 2500.0 | nM | 5.6 | PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific ... | - |
| Sentrin-specific protease 7 | IC50 | = | 2670.0 | nM | 5.57 | PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific ... | - |
| Caspase-3 | IC50 | = | 6860.0 | nM | 5.16 | PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific ... | - |
| Caspase-3 | IC50 | = | 72000.0 | nM | 4.14 | PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific ... | - |
Data from ChEMBL 36 via Core Engine