Compound Detail
CHEMBL36536
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Basic Information
| ChEMBL ID | CHEMBL36536 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RUZIUYOSRDWYQF-UHFFFAOYSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
355.4
MW (Da)
3.47
ALogP
5
HBA
0
HBD
40.2
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.04
EC50 1 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein RecA CHEMBL1741171 | EC50 | 6.21 | 6.21 | 614.0 | 1 |
| Caspase-3 CHEMBL2334 | IC50 | 6.04 | 6.04 | 907.0 | 1 |
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 5.73 | 5.73 | 1860.0 | 1 |
| Tyrosyl-DNA phosphodiesterase 2 CHEMBL2169736 | IC50 | 5.34 | 5.34 | 4598.0 | 1 |
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 5.33 | 5.33 | 4630.0 | 1 |
| Sentrin-specific protease 8 CHEMBL1741207 | IC50 | 5.26 | 5.26 | 5470.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein RecA | EC50 | = | 614.0 | nM | 6.21 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
| Caspase-3 | IC50 | = | 907.0 | nM | 6.04 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific p... | - |
| Sentrin-specific protease 6 | IC50 | = | 1860.0 | nM | 5.73 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Tyrosyl-DNA phosphodiesterase 2 | IC50 | = | 4598.0 | nM | 5.34 | PubChem BioAssay. Epi Absorbance-based biochemical high throughput dose response... | - |
| Sentrin-specific protease 7 | IC50 | = | 4630.0 | nM | 5.33 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Sentrin-specific protease 8 | IC50 | = | 5470.0 | nM | 5.26 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine