Compound Detail
CHEMBL527864
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Basic Information
| ChEMBL ID | CHEMBL527864 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMHUUCSQZYWFET-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
428.5
MW (Da)
2.69
ALogP
8
HBA
3
HBD
123.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.4
EC50 1 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 7.4 | 7.4 | 40.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 7.4 | 7.4 | 40.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 40.0 | nM | 7.4 | Antimalarial activity against Plasmodium falciparum 3D7 assessed as reduction in... | 36561069 |
| Plasmodium falciparum | IC50 | = | 40.0 | nM | 7.4 | Antimalarial activity against Plasmodium falciparum 3D7 by high throughput scree... | 27668758 |
| Plasmodium falciparum | IC50 | = | 40.0 | nM | 7.4 | Antimalarial activity against chloroquine-sensitive plasmodium falciparum 3D7 in... | 34479064 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27668758 | 10.1016/j.ejmech.2016.08.055 | Plasmodium falciparum | 1 |
| 27668758 | 10.1016/j.ejmech.2016.08.055 | NON-PROTEIN TARGET | 1 |
| 34479064 | 10.1016/j.bmc.2021.116348 | Plasmodium falciparum | 1 |
| 34479064 | 10.1016/j.bmc.2021.116348 | HepG2 | 1 |
| 36561069 | 10.1039/d2md00218c | Plasmodium falciparum | 1 |
| 36561069 | 10.1039/d2md00218c | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine