Compound Detail
CHEMBL4093679
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CC(C)CC(=O)c1c(O)cc(O)c2c1O[C@@]1(C(C)C)OC3=C(C(=O)C(C)(C)C(=O)C3(C)C)[C@@H]21
Basic Information
| ChEMBL ID | CHEMBL4093679 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTVCDTWMBDQZMY-BCHFMIIMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
456.5
MW (Da)
4.64
ALogP
7
HBA
2
HBD
110.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 4.98 | 4.98 | 10500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 10500.0 | nM | 4.98 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum 3D7 ... | 28400231 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28400231 | 10.1016/j.bmcl.2017.03.065 | HEK293 | 1 |
| 28400231 | 10.1016/j.bmcl.2017.03.065 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine