Compound Detail
CHEMBL477674
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Basic Information
| ChEMBL ID | CHEMBL477674 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PZDNXCCXVDVOLA-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
462.6
MW (Da)
4.04
ALogP
5
HBA
1
HBD
53.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 5.69 | 5.69 | 2060.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.67 | 5.67 | 2160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | IC50 | = | 2060.0 | nM | 5.69 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 by micr... | 18571774 |
| Plasmodium falciparum | IC50 | = | 2160.0 | nM | 5.67 | Antimalarial activity against chloroquine and pyrimethamine-resistant Plasmodium... | 18571774 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18571774 | 10.1016/j.ejmech.2008.05.002 | Plasmodium falciparum | 1 |
| 18571774 | 10.1016/j.ejmech.2008.05.002 | Trypanosoma brucei rhodesiense | 1 |
| 18571774 | 10.1016/j.ejmech.2008.05.002 | L6 | 1 |
Data from ChEMBL 36 via Core Engine