Compound Detail
CHEMBL459062
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Basic Information
| ChEMBL ID | CHEMBL459062 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GACRELNDQRIYMT-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
3.63
ALogP
2
HBA
6
HBD
123.8
PSA (Ų)
0.32
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.59 | 4.59 | 25400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | IC50 | = | 18.0 | nM | 7.75 | Antiprotozoal activity against Trypanosoma brucei rhodesiense STIB900 bloodstrea... | 18455271 |
| Plasmodium falciparum | IC50 | = | 27.0 | nM | 7.57 | Antiprotozoal activity against chloroquine and pyrimethamine-resistant Plasmodiu... | 18455271 |
| L6 | IC50 | = | 25400.0 | nM | 4.59 | Cytotoxicity against rat L6 cells after 72 hrs by alamar blue assay | 18455271 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18455271 | 10.1016/j.ejmech.2008.02.008 | Trypanosoma brucei rhodesiense | 3 |
| 18455271 | 10.1016/j.ejmech.2008.02.008 | Unchecked | 1 |
| 18455271 | 10.1016/j.ejmech.2008.02.008 | L6 | 1 |
| 18455271 | 10.1016/j.ejmech.2008.02.008 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine