Compound Detail
CHEMBL1578029
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Basic Information
| ChEMBL ID | CHEMBL1578029 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPOJISYAKDCGDO-UHFFFAOYSA-N |
6
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
338.3
MW (Da)
2.27
ALogP
6
HBA
1
HBD
98.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.43
EC50 1 meas. best 4.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sentrin-specific protease 8 CHEMBL1741207 | IC50 | 5.43 | 5.43 | 3720.0 | 1 |
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 5.43 | 5.43 | 3680.0 | 1 |
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 5.21 | 5.21 | 6180.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.09 | 4.74 | 8083.0 | 2 |
| Caspase-3 CHEMBL2334 | IC50 | 5.03 | 5.03 | 9320.0 | 1 |
| Mitochondrial peptide methionine sulfoxide reductase CHEMBL2007622 | EC50 | 4.57 | 4.57 | 27235.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sentrin-specific protease 8 | IC50 | = | 3720.0 | nM | 5.43 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Sentrin-specific protease 6 | IC50 | = | 3680.0 | nM | 5.43 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Sentrin-specific protease 7 | IC50 | = | 6180.0 | nM | 5.21 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Unchecked | IC50 | = | 8083.0 | nM | 5.09 | PubChem BioAssay. Fluorescence-based biochemical high throughput screening dose ... | - |
| Caspase-3 | IC50 | = | 9320.0 | nM | 5.03 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific p... | - |
| Mitochondrial peptide methionine sulfoxide reductase | EC50 | = | 27235.0 | nM | 4.57 | PUBCHEM_BIOASSAY: Absorbance-based biochemical high throughput dose response ass... | - |
| Unchecked | IC50 | = | 40578.0 | nM | 4.39 | PubChem BioAssay. Counterscreen for inhibitors of Crimean-Congo Hemorrhagic Feve... | - |
Data from ChEMBL 36 via Core Engine