Compound Detail
CHEMBL5290797
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C[C@H]1[C@H](N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3
Basic Information
| ChEMBL ID | CHEMBL5290797 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XWBIMBFMLMICJN-BJBXAGGASA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
524.6
MW (Da)
4.67
ALogP
6
HBA
0
HBD
60.5
PSA (Ų)
0.52
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 9.31 | 8.55 | 0.5 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 0.49 | nM | 9.31 | Antimalarial activity against Plasmodium falciparum NF54 | 33508479 |
| Plasmodium falciparum | IC50 | = | 3.5 | nM | 8.46 | Antimalarial activity against Plasmodium falciparum K1 | 33508479 |
| Plasmodium falciparum | IC50 | = | 13.2 | nM | 7.88 | Antimalarial activity against Plasmodium falciparum Dd2 | 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