Compound Detail
CHEMBL587288
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Basic Information
| ChEMBL ID | CHEMBL587288 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ALGPHOUNWIZIOQ-UHFFFAOYSA-N |
4
Targets
16
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
359.4
MW (Da)
1.47
ALogP
6
HBA
2
HBD
93.2
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 7.25
EC50 7 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium berghei CHEMBL612653 | IC50 | 7.25 | 7.25 | 56.0 | 1 |
| Plasmodium falciparum CHEMBL364 | EC50 | 7.16 | 7.0671 | 70.0 | 7 |
| Plasmodium falciparum CHEMBL364 | IC50 | 6.43 | 6.27 | 367.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 6.17 | 5.4325 | 680.0 | 4 |
| Toxoplasma gondii CHEMBL612888 | IC50 | 4.68 | 4.68 | 20930.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3301486 | Unchecked | 8 |
| - | 10.6019/CHEMBL3301472 | Human immunodeficiency virus 1 | 7 |
| - | 10.6019/CHEMBL3301472 | NON-PROTEIN TARGET | 6 |
| 34798379 | 10.1016/j.bmc.2021.116513 | Plasmodium falciparum | 5 |
| - | 10.6019/CHEMBL3301464 | Unchecked | 4 |
| - | 10.6019/CHEMBL3137381 | Onchocerca lienalis | 4 |
| 20485427 | 10.1038/nature09107 | Plasmodium falciparum | 4 |
| - | 10.6019/CHEMBL2363022 | Schistosoma mansoni | 3 |
| - | 10.6019/CHEMBL3301546 | Saccharomyces cerevisiae | 3 |
| - | 10.6019/CHEMBL2028040 | Plasmodium falciparum | 3 |
| - | 10.6019/CHEMBL2094260 | Mycobacterium tuberculosis | 2 |
| 34798379 | 10.1016/j.bmc.2021.116513 | Plasmodium berghei | 2 |
| - | 10.6019/CHEMBL3301550 | Plasmodium falciparum | 2 |
| - | 10.6019/CHEMBL3433997 | Glucose transporter | 2 |
| - | 10.6019/CHEMBL3433997 | Solute carrier family 2, facilitated glucose transporter member 1 | 2 |
| - | 10.6019/CHEMBL3301451 | Plasmodium falciparum | 2 |
| - | 10.6019/CHEMBL3301458 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 2 |
| - | 10.6019/CHEMBL3433997 | Hexose transporter 1 | 2 |
| - | 10.6019/CHEMBL2448809 | Plasmodium falciparum | 1 |
| 34798379 | 10.1016/j.bmc.2021.116513 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine