Compound Detail
CHEMBL3410331
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CC(C)OC(=O)OCOP(=O)(OCOC(=O)OC(C)C)C(OCC(=O)N(C)O)c1ccc(F)c(F)c1
Basic Information
| ChEMBL ID | CHEMBL3410331 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VWEGEIAYOWHCEK-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
543.4
MW (Da)
4.09
ALogP
12
HBA
1
HBD
156.4
PSA (Ų)
0.13
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.54 | 7.5033 | 29.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 29.0 | nM | 7.54 | Antiplasmodial activity against blood stage forms of multidrug-resistant Plasmod... | 25633870 |
| Plasmodium falciparum | IC50 | = | 31.0 | nM | 7.51 | Antiplasmodial activity against blood stage forms of chloroquine-sensitive Plasm... | 25633870 |
| Plasmodium falciparum | IC50 | = | 35.0 | nM | 7.46 | Antiplasmodial activity against blood stage forms of chloroquine-sensitive Plasm... | 25633870 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25633870 | 10.1021/jm5019719 | Plasmodium falciparum | 3 |
| 25633870 | 10.1021/jm5019719 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine