Compound Detail
CHEMBL342049
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Basic Information
| ChEMBL ID | CHEMBL342049 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FEDZVCGWIIQFGU-YVMONPNESA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
328.2
MW (Da)
5.44
ALogP
2
HBA
0
HBD
30.0
PSA (Ų)
0.47
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.72 | 6.69 | 190.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 190.0 | nM | 6.72 | In vitro antimalarial activity against chloroquine-sensitive Plasmodium falcipar... | 8544179 |
| Plasmodium falciparum | IC50 | = | 200.0 | nM | 6.7 | Anti-parasitic activity against chloroquine-susceptible Plasmodium falciparum D6 | 26188621 |
| Plasmodium falciparum | IC50 | = | 200.0 | nM | 6.7 | Anti-parasitic activity against chloroquine-resistant Plasmodium falciparum W2 | 26188621 |
| Plasmodium falciparum | IC50 | = | 230.0 | nM | 6.64 | In vitro antimalarial activity against chloroquine-resistant Plasmodium falcipar... | 8544179 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8544179 | 10.1021/jm00026a010 | Plasmodium falciparum | 2 |
| 26188621 | 10.1016/j.ejmech.2015.06.052 | Plasmodium falciparum | 2 |
| 8544179 | 10.1021/jm00026a010 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine