Compound Detail
CHEMBL1718258
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Basic Information
| ChEMBL ID | CHEMBL1718258 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BIAWRQJFFNQNFC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
279.3
MW (Da)
3.64
ALogP
4
HBA
0
HBD
40.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 5.76 | 5.76 | 1730.0 | 1 |
| Caspase-3 CHEMBL2334 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sentrin-specific protease 7 | IC50 | = | 1730.0 | nM | 5.76 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Caspase-3 | IC50 | = | 15000.0 | nM | 4.82 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific p... | - |
Data from ChEMBL 36 via Core Engine