Compound Detail
CHEMBL128221
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O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CCl)OCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL128221 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GORZMXHABYFLGA-ZEQRLZLVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
479.0
MW (Da)
4.06
ALogP
4
HBA
2
HBD
84.5
PSA (Ų)
0.41
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | IC50 | = | 3600.0 | nM | 5.44 | Antitrypanosomal activity against blood stream form of Trypanosoma brucei brucei | 23611656 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00042-R | Calpain 1 | 1 |
| - | 10.1016/0960-894X(95)00042-R | Cathepsin B | 1 |
| 23611656 | 10.1021/jm301424d | Trypanosoma brucei brucei | 1 |
Data from ChEMBL 36 via Core Engine