Compound Detail
CHEMBL1604550
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Basic Information
| ChEMBL ID | CHEMBL1604550 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KDEFOWSYDNVYSK-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
324.8
MW (Da)
4.78
ALogP
3
HBA
1
HBD
51.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 5.49 | 5.49 | 3220.0 | 1 |
| Sentrin-specific protease 8 CHEMBL1741207 | IC50 | 5.47 | 5.47 | 3370.0 | 1 |
| Caspase-3 CHEMBL2334 | IC50 | 5.25 | 5.25 | 5660.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sentrin-specific protease 7 | IC50 | = | 2300.0 | nM | 5.64 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Sentrin-specific protease 6 | IC50 | = | 3220.0 | nM | 5.49 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Sentrin-specific protease 8 | IC50 | = | 3370.0 | nM | 5.47 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Caspase-3 | IC50 | = | 5660.0 | nM | 5.25 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific p... | - |
Data from ChEMBL 36 via Core Engine