Compound Detail
CHEMBL63883
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Basic Information
| ChEMBL ID | CHEMBL63883 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UIXFPIHXQQZAGX-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
293.3
MW (Da)
3.81
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 5.26 | 5.26 | 5510.0 | 1 |
| Caspase-3 CHEMBL2334 | IC50 | 4.68 | 4.68 | 20700.0 | 1 |
| DNA polymerase catalytic subunit CHEMBL4009 | IC50 | 4.25 | 4.25 | 56000.0 | 1 |
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 4.14 | 4.14 | 72600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sentrin-specific protease 7 | IC50 | = | 5510.0 | nM | 5.26 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Caspase-3 | IC50 | = | 20700.0 | nM | 4.68 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific p... | - |
| DNA polymerase catalytic subunit | IC50 | = | 56000.0 | nM | 4.25 | Inhibitory activity against Human Cytomegalovirus (HCMV) polymerase | 10999475 |
| Sentrin-specific protease 6 | IC50 | = | 72600.0 | nM | 4.14 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23102993 | 10.1016/j.bmc.2012.09.056 | Unchecked | 2 |
| 10999475 | 10.1016/s0960-894x(00)00402-9 | DNA polymerase catalytic subunit | 1 |
| 23102993 | 10.1016/j.bmc.2012.09.056 | A549 | 1 |
| 23102993 | 10.1016/j.bmc.2012.09.056 | MDA-MB-468 | 1 |
| 23102993 | 10.1016/j.bmc.2012.09.056 | MDA-MB-231 | 1 |
| 23102993 | 10.1016/j.bmc.2012.09.056 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine