Compound Detail
CHEMBL1213257
AMOPYROQUINE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL1213257 |
| Name | AMOPYROQUINE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | YNWCUCSDUMVJKR-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
2
Known Names
Molecular Properties
353.9
MW (Da)
4.93
ALogP
4
HBA
2
HBD
48.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 4 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.28 | 6.9067 | 5.3 | 3 |
| Heme CHEMBL4651321 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 5.3 | nM | 8.28 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum 3D7 as... | - |
| Plasmodium falciparum | IC50 | = | 12.0 | nM | 7.92 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 ass... | - |
| Plasmodium falciparum | IC50 | = | 30000.0 | nM | 4.52 | Antimicrobial activity against Plasmodium falciparum | 20185316 |
| Heme | IC50 | = | 30000.0 | nM | 4.52 | Inhibition of heme polymerization in Plasmodium falciparum after 15 min by liqui... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-007-9025-8 | Plasmodium falciparum | 2 |
| 23415087 | 10.1016/j.bmc.2013.01.033 | Heparanase | 2 |
| 20185316 | 10.1016/j.bmc.2010.01.068 | Plasmodium falciparum | 1 |
| - | 10.1007/s00044-007-9025-8 | Heme | 1 |
Data from ChEMBL 36 via Core Engine