Compound Detail
CHEMBL5202829
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Basic Information
| ChEMBL ID | CHEMBL5202829 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JMGPEUUUVWSDJW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
279.4
MW (Da)
4.10
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 5.94 | 5.94 | 1140.0 | 1 |
| HepG2 CHEMBL395 | EC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 1140.0 | nM | 5.94 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum Dd2 as... | 35091169 |
| HepG2 | EC50 | = | 12000.0 | nM | 4.92 | Cytotoxicity against human HepG2 cells assessed as reduction in cell viability i... | 35091169 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35091169 | 10.1016/j.bmc.2022.116629 | Plasmodium falciparum | 1 |
| 35091169 | 10.1016/j.bmc.2022.116629 | HepG2 | 1 |
| 35091169 | 10.1016/j.bmc.2022.116629 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine