Compound Detail
CHEMBL336448
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Basic Information
| ChEMBL ID | CHEMBL336448 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LPQALLZGAJWELF-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
543.5
MW (Da)
6.44
ALogP
7
HBA
2
HBD
77.5
PSA (Ų)
0.16
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.92 | 7.496 | 1.2 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 1.2 | nM | 8.92 | Antiprotozoal activity against chloroquine-resistant Plasmodium falciparum W2 | 30343191 |
| Plasmodium falciparum | IC50 | = | 1.2 | nM | 8.92 | Antiprotozoal activity against chloroquine-sensitive Plasmodium falciparum D6 | 30343191 |
| Plasmodium falciparum | IC50 | = | 24.0 | nM | 7.62 | Antimalarial activity against Plasmodium falciparum D6 in vitro. | 9784111 |
| Plasmodium falciparum | IC50 | = | 48.0 | nM | 7.32 | In vitro antimalarial activity against chloroquine-resistant Plasmodium falcipar... | 9784111 |
| Plasmodium falciparum | IC50 | = | 20000.0 | nM | 4.7 | In vitro inhibition of hematin polymerization in Plasmodium falciparum | 9784111 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9784111 | 10.1021/jm9803828 | Mus musculus | 9 |
| 9784111 | 10.1021/jm9803828 | Plasmodium falciparum | 3 |
| 30343191 | 10.1016/j.ejmech.2018.10.035 | Plasmodium falciparum | 2 |
Data from ChEMBL 36 via Core Engine