Compound Detail
CHEMBL380230
ARTEFLENE 🧪 Phase II
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🧪 Phase II
C[C@@H]1C(=O)C[C@H]2C[C@@H]1OO[C@@]2(C)/C=C\c1ccc(C(F)(F)F)cc1C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL380230 |
| Name | ARTEFLENE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | LRTRTVPZZJAADL-DAHZFVMQSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
6
Known Names
Molecular Properties
408.3
MW (Da)
5.44
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.48
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
IC50 4 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.82 | 7.3633 | 15.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 7.15 | 7.15 | 71.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 15.0 | nM | 7.82 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 ass... | 25913864 |
| Plasmodium falciparum | IC50 | = | 71.0 | nM | 7.15 | In vitro antimalarial activity against chloroquine-sensitive Plasmodium falcipar... | 9871509 |
| Unchecked | IC50 | = | 71.0 | nM | 7.15 | In vitro antimalarial activity against chloroquine-sensitive NF54 strain of Plas... | 12773055 |
| Plasmodium falciparum | IC50 | = | 76.0 | nM | 7.12 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 | 16527481 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12773055 | 10.1021/jm020584a | Mus musculus | 4 |
| 9871509 | 10.1016/s0960-894x(98)00141-3 | Plasmodium falciparum | 1 |
| 12773055 | 10.1021/jm020584a | Unchecked | 1 |
| 16527481 | 10.1016/j.bmcl.2006.02.059 | Plasmodium falciparum | 1 |
| 25913864 | 10.1016/j.bmc.2015.04.017 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine