Compound Detail
CHEMBL1928245
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Basic Information
| ChEMBL ID | CHEMBL1928245 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZOMQUWAPCPLRII-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
446.5
MW (Da)
6.23
ALogP
4
HBA
2
HBD
75.8
PSA (Ų)
0.29
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.7 | 5.7 | 2010.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.6 | 4.6 | 25380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 2010.0 | nM | 5.7 | Antiplasmodial activity against chloroquine and pyrimethamine-resistant Plasmodi... | 22061825 |
| L6 | IC50 | = | 25380.0 | nM | 4.6 | Cytotoxicity against rat L6 cells after 72 hrs by resazurin-based spectrophotome... | 22061825 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22061825 | 10.1016/j.bmc.2011.10.039 | L6 | 1 |
| 22061825 | 10.1016/j.bmc.2011.10.039 | Giardia intestinalis | 1 |
| 22061825 | 10.1016/j.bmc.2011.10.039 | Entamoeba histolytica | 1 |
| 22061825 | 10.1016/j.bmc.2011.10.039 | Trypanosoma brucei rhodesiense | 1 |
| 22061825 | 10.1016/j.bmc.2011.10.039 | Trypanosoma cruzi | 1 |
| 22061825 | 10.1016/j.bmc.2011.10.039 | Leishmania donovani | 1 |
| 22061825 | 10.1016/j.bmc.2011.10.039 | Plasmodium falciparum | 1 |
| 22061825 | 10.1016/j.bmc.2011.10.039 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine