Compound Detail
CHEMBL5201440
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COc1cc(O)c(-c2c(C)cc(O)c3c2C(=O)c2ccc([C@H]4c5cccc(O)c5C(=O)c5c(O)cc(C)c(-c6c(O)cc(OC)c(C(C)=O)c6O)c54)c(O)c2C3=O)c(O)c1C(C)=O
Basic Information
| ChEMBL ID | CHEMBL5201440 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RZVXPJMOIKHWFB-UUWRZZSWSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
852.8
MW (Da)
7.20
ALogP
15
HBA
8
HBD
265.6
PSA (Ų)
0.07
QED
4
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.85 | 6.745 | 140.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 140.0 | nM | 6.85 | Antimalarial activity against Plasmodium falciparum K1 by 96-well microtitre pla... | 33333397 |
| Plasmodium falciparum | IC50 | = | 230.0 | nM | 6.64 | Antimalarial activity against Plasmodium falciparum K1 by 96-well microtitre pla... | 33333397 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33333397 | 10.1016/j.ejmech.2020.113084 | Plasmodium falciparum | 2 |
Data from ChEMBL 36 via Core Engine