Compound Detail
CHEMBL2087264
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CO[C@@H]1C=C[C@@]23c4cc5c(cc4C(OC(=O)c4ccc(Br)cc4)N(C[C@H]2OC(=O)c2ccc(Br)cc2)[C@H]3C1)OCO5
Basic Information
| ChEMBL ID | CHEMBL2087264 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OMFJUWCDHNXFKC-FIKQTKBASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
683.4
MW (Da)
5.93
ALogP
8
HBA
0
HBD
83.5
PSA (Ų)
0.24
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 2900.0 | nM | 5.54 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum F-32... | 22910226 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22910226 | 10.1016/j.bmc.2012.07.036 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine