Compound Detail
CHEMBL259500
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CO/N=C(\N)c1ccc(-c2cn3cc(-c4ccc(/C(N)=N\OC)cc4)nc3c(C)c2C)cc1
Basic Information
| ChEMBL ID | CHEMBL259500 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WLQHYTWFJPPSFT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
442.5
MW (Da)
3.82
ALogP
6
HBA
2
HBD
112.5
PSA (Ų)
0.27
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.49 | 5.49 | 3249.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 5.14 | 5.14 | 7207.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 3249.0 | nM | 5.49 | Antiprotozoal activity against Plasmodium falciparum K1 | 17976993 |
| Trypanosoma brucei rhodesiense | IC50 | = | 7207.0 | nM | 5.14 | Antiprotozoan activity against Trypanosoma brucei rhodesiense STIB900 | 17976993 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17976993 | 10.1016/j.bmc.2007.10.042 | Trypanosoma brucei rhodesiense | 2 |
| 17976993 | 10.1016/j.bmc.2007.10.042 | Plasmodium falciparum | 1 |
| 17976993 | 10.1016/j.bmc.2007.10.042 | L6 | 1 |
Data from ChEMBL 36 via Core Engine