Compound Detail
CHEMBL301267
ARTEMOTIL 🧪 Phase II
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🧪 Phase II
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 | CHEMBL301267 |
| Name | ARTEMOTIL |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | NLYNIRQVMRLPIQ-XQLAAWPRSA-N |
| Therapeutic | ✓ Yes |
4
Targets
16
Activities
2
Assay Types
30
PK Parameters
20
Publications
6
Known Names
1
Indications
1
Mechanisms
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 |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Unknown | - | - | ✓ | ✓ |
Indications
Malaria
ATC Classification
P01BE04
artemotil
Level 1: ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
Level 2: ANTIPROTOZOALS
Activity Summary
IC50 15 meas. best 8.97
EC50 1 meas. best 4.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.97 | 8.684 | 1.1 | 10 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.88 | 4.88 | 13100.0 | 2 |
| ADMET CHEMBL612558 | IC50 | 4.51 | 4.51 | 30900.0 | 1 |
| ADMET CHEMBL612558 | EC50 | 4.38 | 4.38 | 41200.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 4.35 | 4.35 | 45000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 2330.9 | ng.hr.mL-1 | Homo sapiens |
| AUC | 1220.2 | ng.hr.mL-1 | Macaca mulatta |
| AUC | 746.5 | ng.hr.mL-1 | Macaca mulatta |
| AUC | 8.5 | ng.hr.mL-1 | Macaca mulatta |
| AUC | 46.8 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 184.8 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 25.6 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 33.9 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 407.1 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 2414.4 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 1183.3 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 13.33 | mL.min-1.kg-1 | Homo sapiens |
| CL | 38.33 | mL.min-1.kg-1 | Macaca mulatta |
| CL | 118.33 | mL.min-1.kg-1 | Macaca mulatta |
| CL | 50350.0 | mL.min-1.kg-1 | Macaca mulatta |
| CL | 2125.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 126.67 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 12378.33 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 5063.33 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 761.67 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 83.33 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 86.67 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 36.58 | mL.min-1.g-1 | Rattus norvegicus |
| Cmax | 159.41 | nM | Homo sapiens |
| Cmax | 144.68 | nM | Macaca mulatta |
| Cmax | 5.442 | nM | Macaca mulatta |
| Cmax | 32.97 | nM | Rattus norvegicus |
| Cmax | 25.93 | nM | Rattus norvegicus |
| Cmax | 25.93 | nM | Rattus norvegicus |
| Cmax | 88.99 | nM | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine