Compound Detail
CHEMBL269671
ARTEMISININ 🧪 Phase III
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🧪 Phase III
C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4
Basic Information
| ChEMBL ID | CHEMBL269671 |
| Name | ARTEMISININ |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | BLUAFEHZUWYNDE-NNWCWBAJSA-N |
| Therapeutic | ✓ Yes |
47
Targets
675
Activities
4
Assay Types
8
PK Parameters
20
Publications
9
Known Names
3
Indications
1
Mechanisms
Molecular Properties
282.3
MW (Da)
2.39
ALogP
5
HBA
0
HBD
54.0
PSA (Ų)
0.50
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Unknown | - | - | ✓ | ✓ |
Indications
Malaria Schizophrenia Severe Acute Respiratory Syndrome
ATC Classification
P01BE01
artemisinin
Level 1: ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
Level 2: ANTIPROTOZOALS
Activity Summary
IC50 588 meas. best 9.85
EC50 81 meas. best 9.1
Ki 4 meas. best 7.1
Kd 2 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 9.85 | 9.85 | 0.1 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 9.22 | 7.9047 | 0.6 | 474 |
| Plasmodium falciparum CHEMBL364 | EC50 | 9.1 | 8.0629 | 0.8 | 59 |
| Plasmodium falciparum K1 CHEMBL612856 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.06 | 6.786 | 8.7 | 5 |
| Plasmodium berghei CHEMBL612653 | IC50 | 8.05 | 7.25 | 8.9 | 4 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 8.05 | 5.134 | 9.0 | 10 |
| FM3A CHEMBL614297 | EC50 | 8.0 | 5.3333 | 10.0 | 9 |
| Unchecked CHEMBL612545 | EC50 | 8.0 | 8.0 | 10.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.1 | 6.16 | 79.0 | 2 |
| Unchecked CHEMBL612545 | Kd | 6.82 | 6.82 | 150.0 | 1 |
| Cryptococcus neoformans CHEMBL365 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
| Leishmania major CHEMBL612879 | IC50 | 6.52 | 6.32 | 300.0 | 2 |
| L02 CHEMBL4296457 | IC50 | 6.37 | 5.725 | 430.0 | 2 |
| SMMC-7721 CHEMBL613831 | IC50 | 6.36 | 6.28 | 440.0 | 2 |
| Prostaglandin E synthase 2 CHEMBL4411 | Kd | 6.28 | 6.28 | 530.0 | 1 |
| Cytochrome P450 2B6 CHEMBL4729 | EC50 | 6.22 | 6.22 | 600.0 | 1 |
| Toxoplasma gondii CHEMBL612888 | IC50 | 6.19 | 5.945 | 640.0 | 2 |
| Toxoplasma gondii CHEMBL612888 | EC50 | 6.1 | 5.8575 | 800.0 | 4 |
| Molecular identity unknown CHEMBL612546 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| HUVEC CHEMBL613979 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Cytochrome P450 1A2 CHEMBL3356 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Hepatocyte CHEMBL613690 | EC50 | 5.4 | 5.34 | 4000.0 | 2 |
| HepG2 CHEMBL395 | IC50 | 5.39 | 4.7 | 4090.0 | 2 |
| T-cell CHEMBL614309 | IC50 | 5.35 | 5.35 | 4430.0 | 1 |
| Cytochrome P450 2B6 CHEMBL4729 | Ki | 5.34 | 5.34 | 4600.0 | 1 |
| Cytochrome P450 3A4 CHEMBL340 | EC50 | 5.23 | 5.23 | 5900.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 5.14 | 5.14 | 7200.0 | 1 |
| BEAS-2B CHEMBL4296403 | IC50 | 5.12 | 5.12 | 7530.0 | 1 |
| Cytochrome P450 2B6 CHEMBL4729 | IC50 | 5.08 | 5.0 | 8400.0 | 2 |
| Prostaglandin E synthase 2 CHEMBL4411 | IC50 | 5.06 | 5.0217 | 8800.0 | 6 |
| A549 CHEMBL392 | IC50 | 5.01 | 4.7467 | 9850.0 | 3 |
| SARS-CoV-2 CHEMBL4303835 | EC50 | 4.99 | 4.99 | 10280.0 | 1 |
| SK-MEL-2 CHEMBL614917 | IC50 | 4.89 | 4.89 | 12900.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.87 | 4.87 | 13400.0 | 2 |
| Pichia kudriavzevii CHEMBL612841 | IC50 | 4.85 | 4.85 | 14170.0 | 1 |
| SK-OV-3 CHEMBL614925 | IC50 | 4.84 | 4.84 | 14300.0 | 1 |
| XF498 CHEMBL613533 | IC50 | 4.79 | 4.79 | 16200.0 | 1 |
| HCT-15 CHEMBL612263 | IC50 | 4.76 | 4.76 | 17200.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.69 | 4.69 | 20400.0 | 2 |
| Cytochrome P450 3A4 CHEMBL340 | Ki | 4.6 | 4.6 | 25000.0 | 1 |
| ADR5000 cell line CHEMBL614266 | IC50 | 4.57 | 4.57 | 26900.0 | 1 |
| ADR5000 cell line CHEMBL614266 | EC50 | 4.57 | 4.57 | 26900.0 | 1 |
| Nuclear receptor subfamily 1 group I member 2 CHEMBL3401 | EC50 | 4.52 | 4.52 | 30000.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 4.51 | 4.3525 | 30800.0 | 4 |
| CCRF-CEM CHEMBL382 | IC50 | 4.43 | 4.43 | 36900.0 | 4 |
| CCRF-CEM CHEMBL382 | EC50 | 4.43 | 4.43 | 36900.0 | 1 |
| A-431 CHEMBL614069 | IC50 | 4.41 | 4.41 | 39030.0 | 2 |
| HEK293 CHEMBL614818 | IC50 | 4.41 | 4.41 | 39030.0 | 1 |
| COLO 205 CHEMBL614561 | IC50 | 4.41 | 4.41 | 39030.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Cmax | 1600.0 | nM | Homo sapiens |
| T1/2 | 2.0 | hr | - |
| T1/2 | 23.5 | hr | - |
| T1/2 | 23.5 | hr | - |
| T1/2 | 1.0 | hr | Homo sapiens |
| T1/2 | 2.0 | hr | Homo sapiens |
| T1/2 | 2.0 | hr | Homo sapiens |
| T1/2 | 24.0 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine