Compound Detail
CHEMBL90197
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Basic Information
| ChEMBL ID | CHEMBL90197 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CLKNYJFPUYFLRF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
239.7
MW (Da)
1.99
ALogP
2
HBA
1
HBD
41.6
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cruzipain CHEMBL3563 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
| Entamoeba histolytica CHEMBL612853 | IC50 | 5.06 | 5.06 | 8700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cruzipain | IC50 | = | 270.0 | nM | 6.57 | Inhibitory activity against Trypanosoma cruzi cathepsin L-like protease (cruzain... | 12061873 |
| Entamoeba histolytica | IC50 | = | 8700.0 | nM | 5.06 | Antiamnesic activity against Entamoeba histolytica HM-1:IMSS | 16495051 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12061873 | 10.1021/jm010459j | Cruzipain | 1 |
| 12061873 | 10.1021/jm010459j | Trypanosoma cruzi | 1 |
| 16495051 | 10.1016/j.bmcl.2006.01.116 | Entamoeba histolytica | 1 |
Data from ChEMBL 36 via Core Engine