Compound Detail
CHEMBL1413278
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Basic Information
| ChEMBL ID | CHEMBL1413278 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OUGQQERBJUGIMD-MDZDMXLPSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
280.3
MW (Da)
3.32
ALogP
5
HBA
2
HBD
79.4
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 5.6 | 5.14 | 2500.0 | 3 |
| Caspase-3 CHEMBL2334 | IC50 | 4.68 | 4.54 | 21000.0 | 2 |
| Sentrin-specific protease 8 CHEMBL1741207 | IC50 | 4.37 | 4.37 | 43000.0 | 1 |
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 4.21 | 4.21 | 62400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 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 | = | 3460.0 | nM | 5.46 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Caspase-3 | IC50 | = | 21000.0 | nM | 4.68 | PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific ... | - |
| Caspase-3 | IC50 | = | 39700.0 | nM | 4.4 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific p... | - |
| Sentrin-specific protease 8 | IC50 | = | 43000.0 | nM | 4.37 | PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific ... | - |
| Sentrin-specific protease 7 | IC50 | = | 43800.0 | nM | 4.36 | PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific ... | - |
| Sentrin-specific protease 6 | IC50 | = | 62400.0 | nM | 4.21 | PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific ... | - |
Data from ChEMBL 36 via Core Engine