Compound Detail
CHEMBL1099227
AIGIALOMYCIN F Enter ChEMBL ID:
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COc1cc(O)c2c(c1)[C@@H](O)[C@H](C[C@H](O)[C@H](O)[C@@H](O)/C=C/C[C@H](C)O)OC2=O
Basic Information
| ChEMBL ID | CHEMBL1099227 |
| Name | AIGIALOMYCIN F |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MBYUJHMYNREZOJ-RDKWUMOSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
398.4
MW (Da)
-0.23
ALogP
9
HBA
6
HBD
156.9
PSA (Ų)
0.26
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.96 | 7.96 | 10.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 10.9 | nM | 7.96 | Antiplasmodial activity against chloroquine-susceptible Plasmodium falciparum 3D... | 20429578 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20429578 | 10.1021/np900853n | Vero | 4 |
| 20429578 | 10.1021/np900853n | Plasmodium falciparum | 2 |
Data from ChEMBL 36 via Core Engine