Compound Detail
CHEMBL508828
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCOC(=O)/N=C(/Nc1ccc(-c2ccc(-c3ccc(N/C(=N/C(=O)OCC)NC(C)C)cc3)cc2)cc1)NC(C)C
Basic Information
| ChEMBL ID | CHEMBL508828 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZIWCLSGXZLNRHL-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
572.7
MW (Da)
6.87
ALogP
4
HBA
4
HBD
125.4
PSA (Ų)
0.17
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.35 | 8.35 | 4.5 | 1 |
| L6 CHEMBL614793 | IC50 | 5.28 | 5.28 | 5300.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.85 | 4.85 | 14200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 4.5 | nM | 8.35 | Antiprotozoal activity against chloroquine and pyrimethamine-resistant Plasmodiu... | 18455271 |
| L6 | IC50 | = | 5300.0 | nM | 5.28 | Cytotoxicity against rat L6 cells after 72 hrs by alamar blue assay | 18455271 |
| Trypanosoma brucei rhodesiense | IC50 | = | 14200.0 | nM | 4.85 | Antiprotozoal activity against Trypanosoma brucei rhodesiense STIB900 bloodstrea... | 18455271 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18455271 | 10.1016/j.ejmech.2008.02.008 | Plasmodium falciparum | 1 |
| 18455271 | 10.1016/j.ejmech.2008.02.008 | L6 | 1 |
| 18455271 | 10.1016/j.ejmech.2008.02.008 | Unchecked | 1 |
| 18455271 | 10.1016/j.ejmech.2008.02.008 | Trypanosoma brucei rhodesiense | 1 |
Data from ChEMBL 36 via Core Engine