Compound Detail
CHEMBL1418096
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Basic Information
| ChEMBL ID | CHEMBL1418096 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJQWNXKLHDLZNT-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
278.3
MW (Da)
3.04
ALogP
4
HBA
2
HBD
79.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sentrin-specific protease 8 CHEMBL1741207 | IC50 | 6.22 | 5.9 | 606.0 | 2 |
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 6.02 | 6.02 | 955.0 | 1 |
| Caspase-3 CHEMBL2334 | IC50 | 6.02 | 6.02 | 950.0 | 1 |
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 5.9 | 5.9 | 1260.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sentrin-specific protease 8 | IC50 | = | 606.0 | nM | 6.22 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific p... | - |
| Sentrin-specific protease 7 | IC50 | = | 955.0 | nM | 6.02 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Caspase-3 | IC50 | = | 950.0 | nM | 6.02 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific p... | - |
| Sentrin-specific protease 6 | IC50 | = | 1260.0 | nM | 5.9 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Sentrin-specific protease 8 | IC50 | = | 2650.0 | nM | 5.58 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
Data from ChEMBL 36 via Core Engine