Compound Detail
CHEMBL3410327
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CCCCOC(=O)OCOP(=O)(OCOC(=O)OCCCC)C(CCC(=O)N(C)O)c1ccc(F)c(F)c1
Basic Information
| ChEMBL ID | CHEMBL3410327 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MIJLEQHJJVBOHK-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
569.5
MW (Da)
5.68
ALogP
11
HBA
1
HBD
147.1
PSA (Ų)
0.06
QED
3
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.3 | 8.095 | 5.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 5.0 | nM | 8.3 | Antiplasmodial activity against blood stage forms of multidrug-resistant Plasmod... | 25633870 |
| Plasmodium falciparum | IC50 | = | 13.0 | nM | 7.89 | 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 | 2 |
| 25633870 | 10.1021/jm5019719 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine