Compound Detail
CHEMBL579338
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CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(c3ccc(OC)c(OC)c3)C2)C1c1ccccc1F
Basic Information
| ChEMBL ID | CHEMBL579338 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JYAOIVVCGRSAFZ-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
479.6
MW (Da)
5.16
ALogP
6
HBA
1
HBD
73.9
PSA (Ų)
0.55
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 8.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 8.27 | 7.525 | 5.4 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 5.41 | nM | 8.27 | NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation ... | 18579783 |
| Plasmodium falciparum | EC50 | = | 6.71 | nM | 8.17 | NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferati... | 18579783 |
| Plasmodium falciparum | EC50 | = | 8.4 | nM | 8.08 | Antimalarial activity against Plasmodium falciparum W2 infected in RBC assessed ... | 38909569 |
| Plasmodium falciparum | EC50 | = | 2613.0 | nM | 5.58 | Antimalarial activity against Plasmodium falciparum W2 infected in RBC assessed ... | 38909569 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38909569 | 10.1016/j.ejmech.2024.116599 | Plasmodium falciparum | 6 |
| 18579783 | 10.1073/pnas.0802982105 | Plasmodium falciparum | 2 |
| 18579783 | 10.1073/pnas.0802982105 | Unchecked | 1 |
| 18579783 | 10.1073/pnas.0802982105 | Huh-7 | 1 |
| 22096101 | 10.1126/science.1211936 | Plasmodium yoelii | 1 |
Data from ChEMBL 36 via Core Engine