Compound Detail
CHEMBL526138
ARTEMISITENE Enter ChEMBL ID:
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C=C1C(=O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3
Basic Information
| ChEMBL ID | CHEMBL526138 |
| Name | ARTEMISITENE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IGEBZMMCKFUABB-KPHNHPKPSA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
280.3
MW (Da)
2.32
ALogP
5
HBA
0
HBD
54.0
PSA (Ų)
0.39
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.77 | 5.212 | 1700.0 | 5 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.55 | 5.33 | 2800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 1700.0 | nM | 5.77 | Cytotoxicity against human CFUGM | 17618015 |
| Plasmodium falciparum | IC50 | = | 2800.0 | nM | 5.55 | In vitro antimalarial activity against Plasmodium falciparum D6 Sierra Leone rel... | 8355254 |
| NON-PROTEIN TARGET | IC50 | = | 6800.0 | nM | 5.17 | Cytotoxicity against mouse Ehrlich Ascites carcinoma by trypan blue exclusion as... | 17618015 |
| NON-PROTEIN TARGET | IC50 | = | 6800.0 | nM | 5.17 | Cytotoxicity against mouse EAC after 3 days by MTT assay | 8350087 |
| Plasmodium falciparum | IC50 | = | 7800.0 | nM | 5.11 | In vitro antimalarial activity relative to artemisinin against Plasmodium falcip... | 8355254 |
| NON-PROTEIN TARGET | IC50 | = | 10000.0 | nM | 5.0 | Cytotoxicity against mouse Ehrlich Ascites carcinoma by clonogenic assay | 17618015 |
| NON-PROTEIN TARGET | IC50 | = | 11300.0 | nM | 4.95 | Cytotoxicity against mouse Ehrlich Ascites carcinoma by MMT assay | 17618015 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17618015 | 10.1016/j.ejmech.2007.04.019 | NON-PROTEIN TARGET | 5 |
| 8355254 | 10.1021/jm00069a014 | Plasmodium falciparum | 4 |
| 16124777 | 10.1021/np050074u | Cryptococcus neoformans | 2 |
| 8350087 | 10.1021/np50096a007 | NON-PROTEIN TARGET | 2 |
| 11784134 | 10.1021/jm0100234 | Plasmodium falciparum | 1 |
| 16124777 | 10.1021/np050074u | Candida albicans | 1 |
Data from ChEMBL 36 via Core Engine