Compound Detail
CHEMBL5591754
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COc1cc(NC(C)CCCN)c2ncccc2c1.C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Basic Information
| ChEMBL ID | CHEMBL5591754 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UEWPYLWAABRYGQ-SMOYURAASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
651.9
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 600.0 | nM | 6.22 | Antimalarial activity against blood stage chloroquine-sensitive Plasmodium falci... | 39149112 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39149112 | 10.1039/d4md00007b | Plasmodium falciparum | 4 |
| 39149112 | 10.1039/d4md00007b | No relevant target | 1 |
| 39149112 | 10.1039/d4md00007b | Erythrocyte | 1 |
| 39149112 | 10.1039/d4md00007b | Huh-7 | 1 |
| 39149112 | 10.1039/d4md00007b | Plasmodium berghei | 1 |
Data from ChEMBL 36 via Core Engine