Compound Detail
CHEMBL5286129
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C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(S(=O)(=O)c3ccc(C(F)(F)F)cc3)[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4
Basic Information
| ChEMBL ID | CHEMBL5286129 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YOLXWNNDIJSIEG-MZGAJGTKSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
489.5
MW (Da)
4.09
ALogP
6
HBA
0
HBD
82.1
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.69 | 8.6033 | 2.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 2.04 | nM | 8.69 | Antimalarial activity against Plasmodium falciparum NF54 | 33508479 |
| Plasmodium falciparum | IC50 | = | 2.39 | nM | 8.62 | Antimalarial activity against Plasmodium falciparum W2 | 33508479 |
| Plasmodium falciparum | IC50 | = | 3.15 | nM | 8.5 | Antimalarial activity against Plasmodium falciparum K1 | 33508479 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33508479 | 10.1016/j.ejmech.2021.113193 | Plasmodium falciparum | 3 |
Data from ChEMBL 36 via Core Engine