Compound Detail
CHEMBL476250
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Basic Information
| ChEMBL ID | CHEMBL476250 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XAESOWVAGRAFQT-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
472.7
MW (Da)
5.60
ALogP
4
HBA
0
HBD
32.8
PSA (Ų)
0.49
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 6.43 | 6.43 | 370.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.66 | 4.66 | 21900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | IC50 | = | 120.0 | nM | 6.92 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 by micr... | 18571774 |
| Plasmodium falciparum | IC50 | = | 370.0 | nM | 6.43 | Antimalarial activity against chloroquine and pyrimethamine-resistant Plasmodium... | 18571774 |
| L6 | IC50 | = | 21900.0 | nM | 4.66 | Cytotoxicity against rat L6 cells | 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