Compound Detail
CHEMBL466497
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Basic Information
| ChEMBL ID | CHEMBL466497 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWPUQLSTEDVVMR-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
501.7
MW (Da)
4.75
ALogP
5
HBA
0
HBD
36.0
PSA (Ų)
0.53
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.97 | 6.97 | 106.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 6.06 | 6.06 | 870.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.53 | 4.53 | 29460.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 106.0 | nM | 6.97 | Antimalarial activity against chloroquine and pyrimethamine-resistant Plasmodium... | 19395265 |
| Trypanosoma brucei rhodesiense | IC50 | = | 870.0 | nM | 6.06 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense after 72 hrs by... | 19395265 |
| L6 | IC50 | = | 29460.0 | nM | 4.53 | Cytotoxicity against rat L6 cells after 72 hrs by alamar blue assay | 19395265 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19395265 | 10.1016/j.bmc.2009.04.002 | Unchecked | 2 |
| 19395265 | 10.1016/j.bmc.2009.04.002 | Plasmodium berghei | 2 |
| 19395265 | 10.1016/j.bmc.2009.04.002 | Plasmodium falciparum | 1 |
| 19395265 | 10.1016/j.bmc.2009.04.002 | Trypanosoma brucei rhodesiense | 1 |
| 19395265 | 10.1016/j.bmc.2009.04.002 | L6 | 1 |
Data from ChEMBL 36 via Core Engine