Compound Detail
CHEMBL331309
DEOXYARTEMISININ 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[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32O4
Basic Information
| ChEMBL ID | CHEMBL331309 |
| Name | DEOXYARTEMISININ |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZQGMLVQZBIKKMP-NNWCWBAJSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
266.3
MW (Da)
2.46
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.54 | 5.54 | 2863.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 2863.08 | nM | 5.54 | Inhibitory concentration against Plasmodium falciparum D6 (Sierra Leone) | 3279208 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38287228 | 10.1021/acs.jmedchem.3c01989 | Prostaglandin E synthase 2 | 6 |
| 17698618 | 10.1128/aac.00582-07 | Toxoplasma gondii | 4 |
| 8277509 | 10.1021/jm00078a017 | Plasmodium falciparum | 2 |
| 20028825 | 10.1128/aac.01305-09 | Plasmodium falciparum | 2 |
| 17562801 | 10.1128/aac.00225-07 | Plasmodium falciparum | 2 |
| 3279208 | 10.1021/jm00398a026 | Plasmodium falciparum | 2 |
| 17562801 | 10.1128/aac.00225-07 | Babesia divergens | 2 |
| 17562801 | 10.1128/aac.00225-07 | Giardia intestinalis | 2 |
| 17562801 | 10.1128/aac.00225-07 | Trypanosoma cruzi | 1 |
| 38287228 | 10.1021/acs.jmedchem.3c01989 | HCT-116 | 1 |
| 17562801 | 10.1128/aac.00225-07 | Neospora caninum | 1 |
| 17562801 | 10.1128/aac.00225-07 | Leishmania donovani | 1 |
| 17562801 | 10.1128/aac.00225-07 | Trypanosoma brucei rhodesiense | 1 |
| 9134741 | 10.1021/np9605495 | NON-PROTEIN TARGET | 1 |
| 11784134 | 10.1021/jm0100234 | Plasmodium falciparum | 1 |
| 13678403 | 10.1021/jm030181q | Leishmania donovani | 1 |
| 14552753 | 10.1016/j.bmcl.2003.08.023 | HUVEC | 1 |
Data from ChEMBL 36 via Core Engine