Compound Detail
CHEMBL3410467
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CCNC(=O)ON(C)C(=O)CCC(c1ccc(F)c(F)c1)P(=O)(OCOC(=O)OC(C)(C)C)OCOC(=O)OC(C)(C)C
Basic Information
| ChEMBL ID | CHEMBL3410467 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FJTLEWPQPTUWGU-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
640.6
MW (Da)
5.95
ALogP
12
HBA
1
HBD
165.2
PSA (Ų)
0.12
QED
3
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.4 | 7.6633 | 4.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 4.0 | nM | 8.4 | Antiplasmodial activity against blood stage forms of multidrug-resistant Plasmod... | 25633870 |
| Plasmodium falciparum | IC50 | = | 45.0 | nM | 7.35 | Antiplasmodial activity against blood stage forms of chloroquine-sensitive Plasm... | 25633870 |
| Plasmodium falciparum | IC50 | = | 58.0 | nM | 7.24 | Antiplasmodial activity against blood stage forms of chloroquine-sensitive Plasm... | 25633870 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25633870 | 10.1021/jm5019719 | Plasmodium berghei | 4 |
| 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