Compound Detail
CHEMBL4750552
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Basic Information
| ChEMBL ID | CHEMBL4750552 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MCFIRXUXLURQKO-AWEZNQCLSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
349.4
MW (Da)
2.48
ALogP
3
HBA
2
HBD
82.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Procathepsin L CHEMBL3837 | Ki | 7.5 | 7.5 | 31.6 | 1 |
| Cruzipain CHEMBL3563 | Ki | 7.2 | 7.2 | 63.1 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.8 | 6.8 | 158.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Procathepsin L | Ki | = | 31.62 | nM | 7.5 | Inhibition of human cathepsin L using Z-Phe-Arg-7-amido-4-methylcoumarin as subs... | 33038787 |
| Cruzipain | Ki | = | 63.1 | nM | 7.2 | Inhibition of recombinant Trypanosoma cruzi cruzain using Z-Phe-Arg-7-amido-4-me... | 33038787 |
| Unchecked | Ki | = | 158.49 | nM | 6.8 | Inhibition of Leishmania mexicana CPB delta CTE mutant using Z-Phe-Arg-7-amido-4... | 33038787 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33038787 | 10.1016/j.bmc.2020.115743 | Unchecked | 1 |
| 33038787 | 10.1016/j.bmc.2020.115743 | Procathepsin L | 1 |
| 33038787 | 10.1016/j.bmc.2020.115743 | Cruzipain | 1 |
Data from ChEMBL 36 via Core Engine