Compound Detail
CHEMBL477082
HYDROPEROXYARTEMISITENE Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C=C1[C@@H](OO)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3
Basic Information
| ChEMBL ID | CHEMBL477082 |
| Name | HYDROPEROXYARTEMISITENE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZIXBIPFUJKVHBO-FRMADOKQSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
298.3
MW (Da)
2.60
ALogP
6
HBA
1
HBD
66.4
PSA (Ų)
0.46
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.42 | 4.42 | 37800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 37800.0 | nM | 4.42 | Cytotoxicity against mouse Ehrlich Ascites carcinoma by trypan blue exclusion as... | 17618015 |
| NON-PROTEIN TARGET | IC50 | = | 37800.0 | nM | 4.42 | Cytotoxicity against mouse EAC after 3 days by MTT assay | 8350087 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17618015 | 10.1016/j.ejmech.2007.04.019 | NON-PROTEIN TARGET | 2 |
| 8350087 | 10.1021/np50096a007 | NON-PROTEIN TARGET | 2 |
Data from ChEMBL 36 via Core Engine