Compound Detail
CHEMBL578831
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Basic Information
| ChEMBL ID | CHEMBL578831 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VLXXUOMZQGKZHF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
321.4
MW (Da)
4.81
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 5.36 | 5.36 | 4400.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.15 | 4.15 | 71000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | IC50 | = | 4400.0 | nM | 5.36 | Antitrypanosomal activity against bloodstream Trypanosoma brucei rhodesiense STI... | 20047276 |
| L6 | IC50 | = | 71000.0 | nM | 4.15 | Cytotoxicity against rat L6 cells after 70 hrs by alamar blue assay | 20047276 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20047276 | 10.1021/jm900723w | Trypanosoma brucei rhodesiense | 4 |
| 20047276 | 10.1021/jm900723w | Unchecked | 1 |
| 20047276 | 10.1021/jm900723w | L6 | 1 |
Data from ChEMBL 36 via Core Engine