Compound Detail
CHEMBL54903
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C[C@H]1C=C[C@@H](CC(=O)OC23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)OO1
Basic Information
| ChEMBL ID | CHEMBL54903 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KTCRYERBUWFGEQ-STFQGCGRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
292.4
MW (Da)
3.16
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 1000.0 | nM | 6.0 | In vitro antimalarial activity against Plasmodium falciparum D2 | 15027875 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15027875 | 10.1021/jm0305319 | Homo sapiens | 1 |
| 15027875 | 10.1021/jm0305319 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine