Compound Detail
CHEMBL567145
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Basic Information
| ChEMBL ID | CHEMBL567145 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YIXLTPMJQGWREY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
478.0
MW (Da)
4.79
ALogP
7
HBA
0
HBD
80.5
PSA (Ų)
0.35
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cruzipain CHEMBL3563 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cruzipain | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of Trypanosoma cruzi cruzain by Flexstation microplate spectrofluorim... | 19908840 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19908840 | 10.1021/jm901070c | Cruzipain | 1 |
| 19908840 | 10.1021/jm901070c | Unchecked | 1 |
| 20138521 | 10.1016/j.bmcl.2010.01.036 | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine