Compound Detail
CHEMBL307261
ARTENIMOL 🧪 Phase III
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🧪 Phase III
C[C@H]1[C@@H](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 | CHEMBL307261 |
| Name | ARTENIMOL |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | BJDCWCLMFKKGEE-ISOSDAIHSA-N |
| Therapeutic | ✓ Yes |
58
Targets
433
Activities
2
Assay Types
28
PK Parameters
20
Publications
17
Known Names
7
Indications
1
Mechanisms
Molecular Properties
284.4
MW (Da)
2.19
ALogP
5
HBA
1
HBD
57.1
PSA (Ų)
0.69
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 |
|---|---|---|---|---|
| Ferriprotoporphyrin IX binding agent | BINDING AGENT | Ferriprotoporphyrin IX | ✓ | ✓ |
Indications
Malaria Fever Malaria, Falciparum Malaria, Vivax Carcinoma, Non-Small-Cell Lung Lupus Erythematosus, Systemic Polycystic Ovary Syndrome
ATC Classification
P01BE05
artenimol
Level 1: ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
Level 2: ANTIPROTOZOALS
Activity Summary
IC50 397 meas. best 10.0
EC50 36 meas. best 9.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 10.0 | 8.7087 | 0.1 | 247 |
| Plasmodium falciparum CHEMBL364 | EC50 | 9.85 | 8.4584 | 0.1 | 25 |
| Unchecked CHEMBL612545 | IC50 | 9.66 | 5.76 | 0.2 | 10 |
| CCRF-CEM CHEMBL382 | EC50 | 7.07 | 7.07 | 85.0 | 1 |
| CCRF-CEM CHEMBL382 | IC50 | 7.05 | 6.1333 | 90.0 | 3 |
| HL-60 CHEMBL383 | IC50 | 6.75 | 5.5327 | 180.0 | 15 |
| A549 CHEMBL392 | IC50 | 6.64 | 4.8155 | 230.0 | 11 |
| ADR5000 cell line CHEMBL614266 | EC50 | 6.58 | 6.58 | 265.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.57 | 4.7818 | 270.0 | 11 |
| Cryptococcus neoformans CHEMBL365 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
| L02 CHEMBL4296457 | IC50 | 6.44 | 4.98 | 360.0 | 4 |
| SMMC-7721 CHEMBL613831 | IC50 | 6.4 | 5.1567 | 400.0 | 3 |
| HCT-15 CHEMBL612263 | IC50 | 6.34 | 6.34 | 460.0 | 1 |
| XF498 CHEMBL613533 | IC50 | 6.27 | 6.27 | 540.0 | 1 |
| 786-0 CHEMBL613102 | IC50 | 6.2 | 6.2 | 630.0 | 1 |
| Jurkat CHEMBL397 | IC50 | 6.19 | 5.735 | 650.0 | 2 |
| L6 CHEMBL614793 | IC50 | 6.14 | 6.14 | 730.0 | 1 |
| SK-MEL-2 CHEMBL614917 | IC50 | 6.12 | 6.12 | 750.0 | 1 |
| SK-OV-3 CHEMBL614925 | IC50 | 6.07 | 6.07 | 850.0 | 1 |
| Candida albicans CHEMBL366 | IC50 | 6.06 | 6.06 | 880.0 | 1 |
| OVCAR-3 CHEMBL614213 | IC50 | 6.0 | 5.03 | 1000.0 | 2 |
| A2780 CHEMBL614004 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| HUVEC CHEMBL613979 | IC50 | 5.85 | 5.45 | 1400.0 | 2 |
| J774 CHEMBL614123 | EC50 | 5.82 | 5.82 | 1500.0 | 2 |
| MDA-MB-361 CHEMBL614129 | EC50 | 5.77 | 5.77 | 1710.0 | 1 |
| C-33-A CHEMBL2366313 | EC50 | 5.77 | 5.77 | 1710.0 | 1 |
| ADR5000 cell line CHEMBL614266 | IC50 | 5.74 | 5.74 | 1840.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 5.6 | 4.9233 | 2490.0 | 3 |
| HeLa CHEMBL399 | IC50 | 5.58 | 5.315 | 2660.0 | 2 |
| Leishmania donovani CHEMBL367 | IC50 | 5.39 | 4.4717 | 4100.0 | 6 |
| T47D CHEMBL614361 | EC50 | 5.34 | 5.34 | 4600.0 | 1 |
| NCI-H460 CHEMBL396 | IC50 | 5.28 | 5.28 | 5290.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 5.28 | 5.005 | 5290.0 | 2 |
| MDA-MB-231 CHEMBL400 | IC50 | 5.28 | 4.575 | 5290.0 | 8 |
| MCF7 CHEMBL387 | IC50 | 5.16 | 4.4943 | 6880.0 | 7 |
| BV-2 CHEMBL614781 | IC50 | 5.13 | 5.13 | 7400.0 | 1 |
| MCF7 CHEMBL387 | EC50 | 5.08 | 5.08 | 8240.0 | 1 |
| THP-1 CHEMBL614245 | IC50 | 5.04 | 5.04 | 9050.0 | 1 |
| Prostaglandin E synthase 2 CHEMBL4411 | IC50 | 5.02 | 5.02 | 9600.0 | 1 |
| K562 CHEMBL385 | IC50 | 5.01 | 4.71 | 9810.0 | 4 |
| HEK293 CHEMBL614818 | IC50 | 5.0 | 4.9 | 9900.0 | 2 |
| HeLa CHEMBL399 | EC50 | 4.98 | 4.98 | 10460.0 | 1 |
| MDA-MB-231 CHEMBL400 | EC50 | 4.97 | 4.97 | 10690.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.89 | 4.89 | 12800.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 4.87 | 4.4567 | 13600.0 | 3 |
| A-431 CHEMBL614069 | IC50 | 4.8 | 4.585 | 15740.0 | 2 |
| COLO 205 CHEMBL614561 | IC50 | 4.8 | 4.585 | 15740.0 | 2 |
| CNE CHEMBL613824 | IC50 | 4.74 | 4.74 | 18400.0 | 1 |
| HEp-2 CHEMBL614735 | IC50 | 4.74 | 4.74 | 18100.0 | 1 |
| P388/ADR CHEMBL614218 | IC50 | 4.68 | 4.68 | 20670.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1946000.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 1949.0 | ng.hr.mL-1 | Homo sapiens |
| CL | 72.0 | mL.min-1.kg-1 | Mus musculus |
| CL | 72.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 72.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 72.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 2454.72 | nM | Homo sapiens |
| F | - | % | Mus musculus |
| F | - | % | Rattus norvegicus |
| F | 1.4 | % | Mus musculus |
| T1/2 | 17.19 | hr | - |
| T1/2 | 0.4333 | hr | Mus musculus |
| T1/2 | 0.4333 | hr | Rattus norvegicus |
| T1/2 | 0.4333 | hr | Rattus norvegicus |
| T1/2 | 720.0 | hr | Homo sapiens |
| T1/2 | 720.0 | hr | Homo sapiens |
| T1/2 | 0.85 | hr | Homo sapiens |
| T1/2 | 1.0 | hr | Homo sapiens |
| T1/2 | 1.0 | hr | Rattus norvegicus |
| T1/2 | 17.0 | hr | - |
| T1/2 | 0.3833 | hr | Rattus norvegicus |
| T1/2 | 17.0 | hr | - |
| T1/2 | 0.5 | hr | Rattus norvegicus |
| Tmax | 2.8 | hr | Homo sapiens |
| Vd | 3.0 | L.kg-1 | Mus musculus |
| Vd | 3.0 | L.kg-1 | Rattus norvegicus |
| Vd | 3.0 | L.kg-1 | Rattus norvegicus |
| Vd | 1.47 | L.kg-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine