Compound Detail
CHEMBL532879
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Basic Information
| ChEMBL ID | CHEMBL532879 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OWDSNDZARSGGNT-UHFFFAOYSA-N |
2
Targets
8
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
281.3
MW (Da)
2.92
ALogP
5
HBA
2
HBD
96.2
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 6.85
IC50 2 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 6.85 | 6.3567 | 142.0 | 6 |
| Plasmodium falciparum CHEMBL364 | IC50 | 6.62 | 6.62 | 241.6 | 1 |
| Leishmania infantum CHEMBL612848 | IC50 | 4.79 | 4.79 | 16227.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 142.0 | nM | 6.85 | MMV: Inhibition of Plasmodium falciparum 3D7 (EC50). | - |
| Plasmodium falciparum | EC50 | = | 142.0 | nM | 6.85 | Antiplasmodial activity against Plasmodium falciparum 3D7 | 24909679 |
| Plasmodium falciparum | IC50 | = | 241.6 | nM | 6.62 | MMV: IC50 determined against P. falciparum Dd2-luc strain using a Malaria Sybr G... | - |
| Plasmodium falciparum | EC50 | = | 742.0 | nM | 6.13 | NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation ... | 18579783 |
| Plasmodium falciparum | EC50 | = | 740.0 | nM | 6.13 | Antiplasmodial activity against Plasmodium falciparum W2 | 22796182 |
| Plasmodium falciparum | EC50 | = | 818.0 | nM | 6.09 | NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferati... | 18579783 |
| Plasmodium falciparum | EC50 | = | 810.0 | nM | 6.09 | Antiplasmodial activity against Plasmodium falciparum 3D7 | 22796182 |
| Leishmania infantum | IC50 | = | 16227.94 | nM | 4.79 | MMV: Inhibition of Leishmania infantum (MHOM/MA/BE/67) in vitro. | - |
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 |
| 20485427 | 10.1038/nature09107 | Plasmodium falciparum | 4 |
| - | 10.6019/CHEMBL3137381 | Onchocerca lienalis | 4 |
| - | 10.6019/CHEMBL3301546 | Saccharomyces cerevisiae | 3 |
| - | 10.6019/CHEMBL2363022 | Schistosoma mansoni | 3 |
| - | 10.6019/CHEMBL3301451 | Plasmodium falciparum | 2 |
| - | 10.6019/CHEMBL3301458 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 2 |
| 24909679 | 10.1016/j.bmc.2014.05.007 | Plasmodium falciparum | 2 |
| - | 10.6019/CHEMBL2094260 | Mycobacterium tuberculosis | 2 |
| 22796182 | 10.1016/j.bmcl.2012.06.023 | Plasmodium falciparum | 2 |
| 22796182 | 10.1016/j.bmcl.2012.06.023 | Subtilisin-like protease 1 | 2 |
| - | 10.6019/CHEMBL3433997 | Solute carrier family 2, facilitated glucose transporter member 1 | 2 |
| - | 10.6019/CHEMBL2028040 | Plasmodium falciparum | 2 |
| - | 10.6019/CHEMBL3433997 | Hexose transporter 1 | 2 |
| 18579783 | 10.1073/pnas.0802982105 | Plasmodium falciparum | 2 |
| - | 10.6019/CHEMBL3433997 | Glucose transporter | 2 |
| - | 10.6019/CHEMBL2028040 | MRC5 | 1 |
| 18579783 | 10.1073/pnas.0802982105 | Huh-7 | 1 |
Data from ChEMBL 36 via Core Engine