Compound Detail
CHEMBL467401
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CCOC(=O)/N=C(\NC)Nc1ccc(-c2ccc(-c3ccc(N/C(=N/C(=O)OCC)NC)cn3)cc2)nc1
Basic Information
| ChEMBL ID | CHEMBL467401 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AUJIRIIEOWBBNV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
518.6
MW (Da)
4.10
ALogP
6
HBA
4
HBD
151.2
PSA (Ų)
0.28
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.59 | 8.59 | 2.6 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.75 | 4.75 | 17800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 2.6 | nM | 8.59 | Antiprotozoal activity against chloroquine and pyrimethamine-resistant Plasmodiu... | 18455271 |
| Trypanosoma brucei rhodesiense | IC50 | = | 17800.0 | nM | 4.75 | Antiprotozoal activity against Trypanosoma brucei rhodesiense STIB900 bloodstrea... | 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 | Plasmodium falciparum | 1 |
| 18455271 | 10.1016/j.ejmech.2008.02.008 | Unchecked | 1 |
| 18455271 | 10.1016/j.ejmech.2008.02.008 | L6 | 1 |
Data from ChEMBL 36 via Core Engine