Compound Detail
CHEMBL419873
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Basic Information
| ChEMBL ID | CHEMBL419873 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUSYKFULBVBEBE-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
516.1
MW (Da)
3.80
ALogP
6
HBA
2
HBD
89.0
PSA (Ų)
0.37
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.86 | 5.86 | 1380.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 1380.0 | nM | 5.86 | Inhibitory activity against Plasmodium falciparum FcB1 | 12873488 |
| Plasmodium falciparum | IC50 | = | 1380.0 | nM | 5.86 | Antimalarial activity as growth inhibition of chloroquine-resistant Plasmodium f... | 15603943 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12873488 | 10.1016/s0960-894x(03)00550-x | Aminopeptidase N | 2 |
| 12873488 | 10.1016/s0960-894x(03)00550-x | Plasmodium falciparum | 2 |
| 15603943 | 10.1016/j.bmcl.2004.10.080 | MRC5 | 2 |
| 15603943 | 10.1016/j.bmcl.2004.10.080 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine