Compound Detail
CHEMBL459436
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Basic Information
| ChEMBL ID | CHEMBL459436 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OVHLHSHPICYDSM-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
460.0
MW (Da)
6.55
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.41
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.26 | 6.11 | 550.0 | 2 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 5.97 | 5.83 | 1060.0 | 2 |
| L6 CHEMBL614793 | IC50 | 5.36 | 5.19 | 4350.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 550.0 | nM | 6.26 | Antiprotozoal activity against chloroquine and pyrimethamine-resistant Plasmodiu... | 17698258 |
| Trypanosoma brucei rhodesiense | IC50 | = | 1060.0 | nM | 5.97 | Antiprotozoal activity against Trypanosoma brucei rhodesiense STIB900 | 17698258 |
| Plasmodium falciparum | IC50 | = | 1110.0 | nM | 5.96 | Antiprotozoal activity against chloroquine and pyrimethamine-resistant Plasmodiu... | 17698258 |
| Trypanosoma brucei rhodesiense | IC50 | = | 2040.0 | nM | 5.69 | Antiprotozoal activity against Trypanosoma brucei rhodesiense STIB900 | 17698258 |
| L6 | IC50 | = | 4350.0 | nM | 5.36 | Cytotoxicity against rat L6 cells | 17698258 |
| L6 | IC50 | = | 9460.0 | nM | 5.02 | Cytotoxicity against rat L6 cells | 17698258 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17698258 | 10.1016/j.ejmech.2007.06.007 | Plasmodium falciparum | 2 |
| 17698258 | 10.1016/j.ejmech.2007.06.007 | Trypanosoma brucei rhodesiense | 2 |
| 17698258 | 10.1016/j.ejmech.2007.06.007 | L6 | 2 |
Data from ChEMBL 36 via Core Engine