Compound Detail
CHEMBL4753230
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CC(C)=CCC1(CC=C(C)C)C(=O)[C@@](O)(CC=C(C)C)C(=O)C2=C1O[C@H](c1ccccc1)C[C@H]2O
Basic Information
| ChEMBL ID | CHEMBL4753230 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AMZUNTHOABKHBP-FSGGQHMVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
478.6
MW (Da)
5.70
ALogP
5
HBA
2
HBD
83.8
PSA (Ų)
0.39
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.14 | 5.14 | 7300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 7300.0 | nM | 5.14 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum 3D7 ... | 32790306 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32790306 | 10.1021/acs.jnatprod.0c00245 | Plasmodium falciparum | 1 |
| 32790306 | 10.1021/acs.jnatprod.0c00245 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine