Compound Detail
CHEMBL469416
ALPHA-ARTEETHER 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
CCO[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3
Basic Information
| ChEMBL ID | CHEMBL469416 |
| Name | ALPHA-ARTEETHER |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NLYNIRQVMRLPIQ-VBGZEHGNSA-N |
1
Targets
4
Activities
1
Assay Types
30
PK Parameters
10
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
3.23
ALogP
5
HBA
0
HBD
46.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.68 | 8.5425 | 2.1 | 4 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1303.1 | ng.hr.mL-1 | Homo sapiens |
| AUC | 754.4 | ng.hr.mL-1 | Macaca mulatta |
| AUC | 641.8 | ng.hr.mL-1 | Macaca mulatta |
| AUC | 6.6 | ng.hr.mL-1 | Macaca mulatta |
| AUC | 73.8 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 131.7 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 111.5 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 50.9 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 601.1 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 1247.1 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 1058.5 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 10.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 26.67 | mL.min-1.kg-1 | Macaca mulatta |
| CL | 61.67 | mL.min-1.kg-1 | Macaca mulatta |
| CL | 30771.67 | mL.min-1.kg-1 | Macaca mulatta |
| CL | 600.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 75.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 1331.67 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 1708.33 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 246.67 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 68.33 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 40.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 194.3 | nM | Homo sapiens |
| Cmax | 309.53 | nM | Macaca mulatta |
| Cmax | 12.48 | nM | Macaca mulatta |
| Cmax | 106.91 | nM | Rattus norvegicus |
| Cmax | 329.05 | nM | Rattus norvegicus |
| Cmax | 120.35 | nM | Rattus norvegicus |
| Cmax | 298.65 | nM | Rattus norvegicus |
| Cmax | 587.69 | nM | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 2.08 | nM | 8.68 | Intrinsic equimolar activity against Plasmodium falciparum W2 Indochina relative... | 3279208 |
| Plasmodium falciparum | IC50 | = | 2.52 | nM | 8.6 | Intrinsic equimolar activity against Plasmodium falciparum D6 (Sierra Leone) rel... | 3279208 |
| Plasmodium falciparum | IC50 | = | 3.07 | nM | 8.51 | Inhibitory concentration against Plasmodium falciparum W2 Indochina | 3279208 |
| Plasmodium falciparum | IC50 | = | 4.18 | nM | 8.38 | Inhibitory concentration against Plasmodium falciparum D6 (Sierra Leone) | 3279208 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-004-0053-3 | Rattus norvegicus | 54 |
| 3279208 | 10.1021/jm00398a026 | Plasmodium berghei | 26 |
| - | 10.1007/s00044-004-0053-3 | Rhesus monkey | 22 |
| - | 10.1007/s00044-004-0053-3 | Homo sapiens | 8 |
| 3279208 | 10.1021/jm00398a026 | Plasmodium falciparum | 4 |
| 17125275 | 10.1021/jm060826x | Plasmodium yoelii nigeriensis | 2 |
| 17125275 | 10.1021/jm060826x | Trypanosoma brucei rhodesiense | 2 |
| 16124777 | 10.1021/np050074u | Candida albicans | 2 |
| 16124777 | 10.1021/np050074u | Cryptococcus neoformans | 2 |
| 17125275 | 10.1021/jm060826x | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine