Compound Detail
CHEMBL1375292
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Basic Information
| ChEMBL ID | CHEMBL1375292 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SYXGMWCLRWOVJB-MDWZMJQESA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
251.3
MW (Da)
3.65
ALogP
2
HBA
0
HBD
20.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 1B1 CHEMBL4878 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 5.27 | 5.27 | 5320.0 | 1 |
| Caspase-3 CHEMBL2334 | IC50 | 5.08 | 5.08 | 8330.0 | 1 |
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 4.94 | 4.94 | 11600.0 | 1 |
| Sentrin-specific protease 8 CHEMBL1741207 | IC50 | 4.84 | 4.84 | 14300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 1B1 | IC50 | = | 110.0 | nM | 6.96 | Inhibition of human recombinant CYP1B1 assessed as fluorescence of resorufin | 37315474 |
| Sentrin-specific protease 7 | IC50 | = | 5320.0 | nM | 5.27 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Caspase-3 | IC50 | = | 8330.0 | nM | 5.08 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific p... | - |
| Sentrin-specific protease 6 | IC50 | = | 11600.0 | nM | 4.94 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Sentrin-specific protease 8 | IC50 | = | 14300.0 | nM | 4.84 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37315474 | 10.1016/j.ejmech.2023.115552 | Cytochrome P450 1B1 | 1 |
Data from ChEMBL 36 via Core Engine