Compound Detail
CHEMBL64584
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Basic Information
| ChEMBL ID | CHEMBL64584 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RZUCBLRAZSRUFM-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
186.2
MW (Da)
0.72
ALogP
3
HBA
0
HBD
61.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.22
Ki 1 meas. best 4.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Caspase-3 CHEMBL2334 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
| Human rhinovirus A protease CHEMBL2857 | Ki | 4.29 | 4.29 | 51000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Caspase-3 | IC50 | = | 600.0 | nM | 6.22 | Inhibition of recombinant human caspase-3 | 11384246 |
| Human rhinovirus A protease | Ki | = | 51000.0 | nM | 4.29 | Inhibition of human rhinovirus 3C protease | 8978838 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11384246 | 10.1021/jm0100537 | Caspase-3 | 1 |
| 8978838 | 10.1021/jm960603e | Human rhinovirus A protease | 1 |
Data from ChEMBL 36 via Core Engine