Compound Detail
CHEMBL154851
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COC(=O)O[C@H]1C(=O)O[C@@H]2C[C@H]3C(C)=C(O)C(=O)C[C@]3(C)[C@H]3[C@@H](O)[C@H](O)[C@@]4(C(=O)OC)OC[C@]32[C@@H]14
Basic Information
| ChEMBL ID | CHEMBL154851 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCSZFYGWMYXABA-RYJXYIDQSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
496.5
MW (Da)
-0.21
ALogP
12
HBA
3
HBD
175.1
PSA (Ų)
0.34
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 7.28 | 7.28 | 53.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 53.0 | nM | 7.28 | In vitro antimalarial activity against Plasmodium falciparum | 12570385 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12570385 | 10.1021/jm0201971 | Plasmodium falciparum | 1 |
| 12570385 | 10.1021/jm0201971 | FM3A | 1 |
| 12570385 | 10.1021/jm0201971 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine