Compound Detail
CHEMBL2164252
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CN(O)C(=O)COC(c1ccc(F)c(F)c1)P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C
Basic Information
| ChEMBL ID | CHEMBL2164252 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSQFYCDSORKZHQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
539.5
MW (Da)
4.15
ALogP
10
HBA
1
HBD
137.9
PSA (Ų)
0.14
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.89 | 7.775 | 13.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 13.0 | nM | 7.89 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum 3D7 ... | 22731758 |
| Plasmodium falciparum | IC50 | = | 22.0 | nM | 7.66 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum Dd2 ... | 22731758 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22731758 | 10.1021/jm300652f | Plasmodium falciparum | 2 |
| 22731758 | 10.1021/jm300652f | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine