Compound Detail
CHEMBL1800564
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Basic Information
| ChEMBL ID | CHEMBL1800564 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MBYXDRLTORAXCZ-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
353.4
MW (Da)
3.44
ALogP
5
HBA
1
HBD
56.4
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.77 | 6.77 | 170.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 170.0 | nM | 6.77 | Antimalarial activity against Plasmodium falciparum GHA | 21644541 |
| Plasmodium falciparum | IC50 | = | 170.0 | nM | 6.77 | Antimalarial activity against Plasmodium falciparum W2 | 21644541 |
| Plasmodium falciparum | IC50 | = | 170.0 | nM | 6.77 | Antimalarial activity against Plasmodium falciparum K1 | 21644541 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21644541 | 10.1021/jm200227r | Plasmodium falciparum | 9 |
Data from ChEMBL 36 via Core Engine