Compound Detail
CHEMBL343320
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Basic Information
| ChEMBL ID | CHEMBL343320 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AXGJQYDQWXCHEV-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
452.4
MW (Da)
5.32
ALogP
5
HBA
1
HBD
44.3
PSA (Ų)
0.44
QED
1
Ro5 Violations
5
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 | 7.848 | 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 | Antimalarial activity against Plasmodium falciparum D6 in vitro. | 9784111 |
| Plasmodium falciparum | IC50 | = | 1.2 | nM | 8.92 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum D6 inf... | 28800458 |
| Plasmodium falciparum | IC50 | = | 9.0 | nM | 8.05 | In vitro antimalarial activity against chloroquine-resistant Plasmodium falcipar... | 9784111 |
| Plasmodium falciparum | IC50 | = | 9.0 | nM | 8.05 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2 inf... | 28800458 |
| Plasmodium falciparum | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of hematin polymerization in Plasmodium falciparum | 9784111 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9784111 | 10.1021/jm9803828 | Mus musculus | 13 |
| 9784111 | 10.1021/jm9803828 | Plasmodium falciparum | 3 |
| 10201823 | 10.1016/s0960-894x(99)00058-x | Canis familiaris | 2 |
| 10201823 | 10.1016/s0960-894x(99)00058-x | NADH-cytochrome b5 reductase | 2 |
| 28800458 | 10.1016/j.ejmech.2017.07.061 | Plasmodium falciparum | 2 |
Data from ChEMBL 36 via Core Engine