Compound Detail
CHEMBL2071269
TETRAOXANE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL2071269 |
| Name | TETRAOXANE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UYVWNPAMKCDKRB-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
92.0
MW (Da)
-0.19
ALogP
4
HBA
0
HBD
36.9
PSA (Ų)
0.39
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.92 | 6.71 | 120.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 120.0 | nM | 6.92 | Antiplasmodial activity against drug resistant Plasmodium falciparum Dd2 ring st... | 22858300 |
| Plasmodium falciparum | IC50 | = | 320.0 | nM | 6.5 | Antiplasmodial activity against Plasmodium falciparum 3D7 ring stage cells asses... | 22858300 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22858300 | 10.1016/j.bmc.2012.06.038 | Unchecked | 3 |
| 22858300 | 10.1016/j.bmc.2012.06.038 | Plasmodium falciparum | 2 |
| 22858300 | 10.1016/j.bmc.2012.06.038 | Human immunodeficiency virus 1 | 1 |
| 22858300 | 10.1016/j.bmc.2012.06.038 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine