Compound Detail
CHEMBL5199098
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Basic Information
| ChEMBL ID | CHEMBL5199098 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JQNFKXWEJORMGJ-FVOAXITGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
154.2
MW (Da)
1.70
ALogP
2
HBA
0
HBD
29.6
PSA (Ų)
0.34
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cruzipain CHEMBL3563 | IC50 | 7.53 | 7.53 | 29.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cruzipain | IC50 | = | 29.73 | nM | 7.53 | Inhibition of Trypanosoma cruzi cruzain using Z-FR-AMC as substrate preincubated... | 35188371 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35188371 | 10.1021/acs.jmedchem.1c02063 | Cruzipain | 1 |
| 35188371 | 10.1021/acs.jmedchem.1c02063 | C2C12 | 1 |
Data from ChEMBL 36 via Core Engine