Compound Detail
CHEMBL1506796
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Basic Information
| ChEMBL ID | CHEMBL1506796 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RJUZQHVHEDGLPF-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
310.4
MW (Da)
4.56
ALogP
4
HBA
2
HBD
62.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sentrin-specific protease 8 CHEMBL1741207 | IC50 | 6.49 | 6.11 | 325.0 | 2 |
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 6.1 | 6.1 | 797.0 | 1 |
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 6.1 | 6.1 | 787.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.1 | 6.1 | 794.3 | 1 |
| Caspase-3 CHEMBL2334 | IC50 | 4.96 | 4.96 | 10900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sentrin-specific protease 8 | IC50 | = | 325.0 | nM | 6.49 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific p... | - |
| Sentrin-specific protease 7 | IC50 | = | 797.0 | nM | 6.1 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Sentrin-specific protease 6 | IC50 | = | 787.0 | nM | 6.1 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Unchecked | IC50 | = | 794.33 | nM | 6.1 | Inhibition of GST fused human PI5P4Kgamma mutant harboring PI5P4Kalpha G-loop re... | 36516442 |
| Sentrin-specific protease 8 | IC50 | = | 1880.0 | nM | 5.73 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Caspase-3 | IC50 | = | 10900.0 | nM | 4.96 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific p... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36516442 | 10.1021/acs.jmedchem.2c01693 | Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha | 1 |
| 36516442 | 10.1021/acs.jmedchem.2c01693 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine