Compound Detail
CHEMBL471539
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CCN(CC)CCCNC(=O)OCc1cc(NC(=O)CN2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc23)c1
Basic Information
| ChEMBL ID | CHEMBL471539 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LOJAPTYUHKVYTA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
581.2
MW (Da)
6.01
ALogP
7
HBA
3
HBD
98.8
PSA (Ų)
0.21
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.84 | 7.84 | 14.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 14.5 | nM | 7.84 | Antimalarial activity after 24 hrs against chloroquine-resistant Plasmodium falc... | 18226428 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18226428 | 10.1016/j.ejmech.2007.11.003 | Plasmodium falciparum | 3 |
| 18226428 | 10.1016/j.ejmech.2007.11.003 | Unchecked | 1 |
| 18226428 | 10.1016/j.ejmech.2007.11.003 | MRC5 | 1 |
Data from ChEMBL 36 via Core Engine