Compound Detail
CHEMBL1097787
AIGIALOMYCIN B Enter ChEMBL ID:
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COc1cc(O)c2c(c1)[C@@H]1O[C@@H]1C[C@H](O)[C@H](O)[C@@H](O)/C=C/C[C@H](C)OC2=O
Basic Information
| ChEMBL ID | CHEMBL1097787 |
| Name | AIGIALOMYCIN B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NWBBODCXRAHUEM-OSMRJIJKSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
380.4
MW (Da)
0.82
ALogP
8
HBA
4
HBD
129.0
PSA (Ų)
0.32
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.19 | 5.53 | 650.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 650.0 | nM | 6.19 | Antiplasmodial activity against chloroquine-susceptible Plasmodium falciparum 3D... | 20429578 |
| Plasmodium falciparum | IC50 | = | 13500.0 | nM | 4.87 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum Dd2 ... | 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