Compound Detail
CHEMBL4068931
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CC(=O)c1c(O)c(CC=C(C)C)c(O)c(C(c2ccc(F)cc2)c2c(O)cc(O)c(CC=C(C)C)c2O)c1O
Basic Information
| ChEMBL ID | CHEMBL4068931 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KZJYCYSWWFFOCM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
536.6
MW (Da)
6.46
ALogP
7
HBA
6
HBD
138.4
PSA (Ų)
0.11
QED
3
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 2000.0 | nM | 5.7 | Antiplasmodial activity against intraerythrocytic stage of Plasmodium falciparum... | 27228055 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27228055 | 10.1021/acs.jnatprod.6b00347 | Plasmodium falciparum | 1 |
| 27228055 | 10.1021/acs.jnatprod.6b00347 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine