Compound Detail
CHEMBL1215753
AZADIRONE Enter ChEMBL ID:
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CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@H]3c3ccoc3)[C@@]21C
Basic Information
| ChEMBL ID | CHEMBL1215753 |
| Name | AZADIRONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXIKKMLIDXLAIK-RFKFVWFBSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
436.6
MW (Da)
6.24
ALogP
4
HBA
0
HBD
56.5
PSA (Ų)
0.41
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.92 | 5.855 | 1210.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 1210.0 | nM | 5.92 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum W2 a... | 20669933 |
| Plasmodium falciparum | IC50 | = | 1630.0 | nM | 5.79 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum D10 ... | 20669933 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27317644 | 10.1016/j.bmcl.2016.05.076 | Molecular identity unknown | 3 |
| 20669933 | 10.1021/np100325q | Plasmodium falciparum | 2 |
| 27317644 | 10.1016/j.bmcl.2016.05.076 | Calvarial osteoblast | 2 |
| 12137465 | 10.1021/jf025534t | Spodoptera litura | 1 |
| 27317644 | 10.1016/j.bmcl.2016.05.076 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine