Compound Detail
CHEMBL303933
PIPERAQUINE 🧪 Phase III
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
🧪 Phase III
Basic Information
| ChEMBL ID | CHEMBL303933 |
| Name | PIPERAQUINE |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | UCRHFBCYFMIWHC-UHFFFAOYSA-N |
5
Targets
128
Activities
3
Assay Types
30
PK Parameters
20
Publications
2
Known Names
4
Indications
1
Mechanisms
Molecular Properties
535.5
MW (Da)
5.42
ALogP
6
HBA
0
HBD
38.7
PSA (Ų)
0.33
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Ferriprotoporphyrin IX inhibitor | INHIBITOR | Ferriprotoporphyrin IX | ✓ | ✓ |
Indications
Fever Malaria Malaria, Falciparum Malaria, Vivax
Activity Summary
IC50 126 meas. best 9.15
EC50 1 meas. best 7.9
Ki 1 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 9.15 | 7.5623 | 0.7 | 109 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 8.12 | 8.055 | 7.6 | 2 |
| Plasmodium falciparum CHEMBL364 | EC50 | 7.9 | 7.9 | 12.5 | 1 |
| Plasmodium vivax CHEMBL613013 | IC50 | 7.88 | 7.6885 | 13.2 | 13 |
| Plasmodium malariae CHEMBL613257 | IC50 | 7.54 | 7.48 | 29.0 | 2 |
| Cytochrome P450 3A4 CHEMBL340 | Ki | 7.05 | 7.05 | 90.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 46804.45 | ng.hr.mL-1 | Homo sapiens |
| AUC | 40913.73 | ng.hr.mL-1 | Homo sapiens |
| AUC | 33500.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 27300.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 19400.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 7580.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 8650.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 20700.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 8650.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 9070.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 19400.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 25900.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 44430.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 56418.0 | ng.hr.mL-1 | Homo sapiens |
| CL | 31.67 | mL.min-1.kg-1 | Mus musculus |
| CL | 25.83 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 1060.65 | nM | Homo sapiens |
| T1/2 | 8.3 | hr | Homo sapiens |
| T1/2 | 413.0 | hr | Homo sapiens |
| T1/2 | 0.12 | hr | Homo sapiens |
| T1/2 | 9.3 | hr | Homo sapiens |
| T1/2 | 324.0 | hr | Homo sapiens |
| T1/2 | 487.2 | hr | Homo sapiens |
| T1/2 | 501.6 | hr | Homo sapiens |
| T1/2 | 280.8 | hr | Homo sapiens |
| T1/2 | 456.0 | hr | Homo sapiens |
| T1/2 | 427.2 | hr | Mus musculus |
| T1/2 | 386.4 | hr | Mus musculus |
| T1/2 | 14.16 | hr | Mus musculus |
| T1/2 | 496.8 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine