Compound Detail
CHEMBL330050
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Basic Information
| ChEMBL ID | CHEMBL330050 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TZKDKVOAUCBYJK-GIDUJCDVSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
261.3
MW (Da)
2.67
ALogP
2
HBA
2
HBD
50.7
PSA (Ų)
0.37
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cruzipain CHEMBL3563 | IC50 | 6.77 | 6.77 | 169.8 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cruzipain | IC50 | = | 170.0 | nM | 6.77 | Inhibitory activity against Trypanosoma cruzi cathepsin L-like protease (cruzain... | 12061873 |
| Cruzipain | IC50 | = | 170.0 | nM | 6.77 | Inhibition of recombinant Trypanosoma cruzi Cruzipain using Z-Phe-Arg-AMC as sub... | 37054562 |
| Cruzipain | IC50 | = | 169.82 | nM | 6.77 | Inhibition of recombinant Trypanosoma cruzi Cruzipain using Z-Phe-Arg-AMC as sub... | 37054562 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37054562 | 10.1016/j.ejmech.2023.115345 | Cruzipain | 2 |
| 12061873 | 10.1021/jm010459j | Cruzipain | 1 |
| 12061873 | 10.1021/jm010459j | Trypanosoma cruzi | 1 |
Data from ChEMBL 36 via Core Engine