Compound Detail
CHEMBL2297590
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Basic Information
| ChEMBL ID | CHEMBL2297590 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WJQYKRIBWNZUHM-SDQBBNPISA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
272.2
MW (Da)
2.01
ALogP
2
HBA
2
HBD
50.4
PSA (Ų)
0.49
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.15
Ki 1 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cruzipain CHEMBL3563 | Ki | 6.85 | 6.85 | 142.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 4.15 | 4.15 | 70400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cruzipain | Ki | = | 142.0 | nM | 6.85 | Non-competitive inhibition of Trypanosoma cruzi cruzipain using Z-Phe-Arg-AMC as... | - |
| Trypanosoma brucei brucei | IC50 | = | 70400.0 | nM | 4.15 | Trypanocidal activity against Trypanosoma brucei brucei 427 bloodstream form ass... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C2MD00283C | Cruzipain | 4 |
| - | 10.1007/s00044-012-0208-6 | Trypanosoma brucei brucei | 1 |
Data from ChEMBL 36 via Core Engine