Compound Detail
CHEMBL361497
ARTESUNATE 💊 Approved Drug
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💊 Approved Drug
C[C@H]1[C@H](OC(=O)CCC(=O)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 | CHEMBL361497 |
| Name | ARTESUNATE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | FIHJKUPKCHIPAT-AHIGJZGOSA-N |
| Therapeutic | ✓ Yes |
| Active Moiety | CHEMBL307261 |
43
Targets
351
Activities
2
Assay Types
10
PK Parameters
20
Publications
14
Known Names
17
Indications
1
Mechanisms
Molecular Properties
384.4
MW (Da)
2.60
ALogP
7
HBA
1
HBD
100.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2020 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Unknown | - | - | ✓ | ✓ |
Indications
Malaria Cytomegalovirus Infections Fever Malaria, Falciparum Malaria, Vivax Schistosomiasis Schistosomiasis haematobia Severe Acute Respiratory Syndrome Colorectal Neoplasms Conjunctivitis, Allergic Crohn Disease Intestinal Neoplasms Breast Neoplasms Carcinoma, Hepatocellular Friedreich Ataxia Idiopathic Pulmonary Fibrosis Neoplasms
ATC Classification
P01BE03
artesunate
Level 1: ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
Level 2: ANTIPROTOZOALS
Activity Summary
IC50 303 meas. best 9.52
EC50 48 meas. best 9.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 9.52 | 8.2735 | 0.3 | 203 |
| Plasmodium vivax CHEMBL613013 | IC50 | 9.41 | 8.8957 | 0.4 | 14 |
| Plasmodium falciparum CHEMBL364 | EC50 | 9.09 | 7.9729 | 0.8 | 31 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 8.94 | 6.3333 | 1.2 | 9 |
| Plasmodium malariae CHEMBL613257 | IC50 | 8.75 | 8.65 | 1.8 | 2 |
| CCRF-CEM CHEMBL382 | EC50 | 7.16 | 6.78 | 69.0 | 2 |
| CCRF-CEM CHEMBL382 | IC50 | 7.16 | 6.1025 | 70.0 | 4 |
| ADR5000 cell line CHEMBL614266 | EC50 | 7.0 | 6.6733 | 100.0 | 3 |
| Toxoplasma gondii CHEMBL612888 | EC50 | 6.67 | 6.67 | 213.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 6.34 | 5.568 | 460.0 | 5 |
| HeLa CHEMBL399 | IC50 | 6.3 | 5.295 | 500.0 | 6 |
| HUVEC CHEMBL613979 | IC50 | 5.96 | 5.015 | 1092.0 | 2 |
| ADR5000 cell line CHEMBL614266 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| L6 CHEMBL614793 | IC50 | 5.82 | 5.2067 | 1500.0 | 3 |
| Prostaglandin E synthase 2 CHEMBL4411 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| C-33-A CHEMBL2366313 | EC50 | 5.74 | 5.74 | 1830.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| T47D CHEMBL614361 | EC50 | 5.65 | 5.65 | 2220.0 | 1 |
| MDA-MB-361 CHEMBL614129 | EC50 | 5.64 | 5.64 | 2270.0 | 1 |
| Hepatitis B virus CHEMBL613497 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 5.54 | 5.2333 | 2900.0 | 3 |
| Human betaherpesvirus 5 CHEMBL371 | IC50 | 5.42 | 5.42 | 3800.0 | 1 |
| MCF7 CHEMBL387 | EC50 | 5.38 | 5.38 | 4210.0 | 1 |
| T-cell CHEMBL614309 | IC50 | 5.34 | 5.34 | 4580.0 | 1 |
| Schistosoma mansoni CHEMBL612893 | IC50 | 5.3 | 4.7067 | 4970.0 | 3 |
| A549 CHEMBL392 | IC50 | 5.27 | 4.7867 | 5400.0 | 3 |
| Human betaherpesvirus 5 CHEMBL371 | EC50 | 5.27 | 5.27 | 5410.0 | 4 |
| K562 CHEMBL385 | IC50 | 5.22 | 5.22 | 5999.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 5.19 | 4.6378 | 6500.0 | 9 |
| MRC5 CHEMBL614181 | IC50 | 5.17 | 4.805 | 6800.0 | 2 |
| Leukemia cell CHEMBL614844 | IC50 | 5.16 | 5.16 | 6887.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.15 | 4.9967 | 7100.0 | 3 |
| BT-474 CHEMBL614529 | IC50 | 5.11 | 5.11 | 7800.0 | 1 |
| WM 266-4 CHEMBL4296510 | IC50 | 5.07 | 5.07 | 8460.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.03 | 4.96 | 9440.0 | 2 |
| SK-HEP1 CHEMBL614912 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| MDA-MB-231 CHEMBL400 | EC50 | 5.0 | 5.0 | 10040.0 | 1 |
| HeLa CHEMBL399 | EC50 | 4.92 | 4.92 | 12030.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 4.92 | 4.92 | 12100.0 | 1 |
| SARS-CoV-2 CHEMBL4303835 | EC50 | 4.89 | 4.89 | 12980.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 4.89 | 4.7567 | 12800.0 | 3 |
| MCF-10A CHEMBL614321 | IC50 | 4.68 | 4.68 | 21000.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.41 | 4.41 | 38710.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 4.34 | 4.23 | 46000.0 | 2 |
| OVCAR-3 CHEMBL614213 | IC50 | 4.17 | 4.17 | 67300.0 | 1 |
| L02 CHEMBL4296457 | IC50 | 4.14 | 4.14 | 72170.0 | 1 |
| SMMC-7721 CHEMBL613831 | IC50 | 4.14 | 4.14 | 72300.0 | 1 |
| J82 CHEMBL614586 | IC50 | 4.12 | 4.12 | 75700.0 | 1 |
| KB CHEMBL398 | IC50 | 4.11 | 4.11 | 78500.0 | 2 |
| Lymphocyte CHEMBL5314318 | IC50 | 4.1 | 4.1 | 80000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 113.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 1404.0 | ng.hr.mL-1 | Homo sapiens |
| CL | 1070.0 | mL.min-1.kg-1 | Homo sapiens |
| Cmax | 133.44 | nM | Homo sapiens |
| Cmax | 1230.39 | nM | Homo sapiens |
| Fu | 0.25 | - | Homo sapiens |
| MRT | 0.32 | hr | Homo sapiens |
| T1/2 | 1.3 | hr | Homo sapiens |
| T1/2 | 0.22 | hr | Homo sapiens |
| T1/2 | 1.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine