Compound Detail
CHEMBL2181214
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Basic Information
| ChEMBL ID | CHEMBL2181214 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XKYREHPNCLCHSW-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
339.8
MW (Da)
4.80
ALogP
4
HBA
1
HBD
37.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.64 | 7.39 | 23.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 23.0 | nM | 7.64 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum D10 ... | 23145816 |
| Plasmodium falciparum | IC50 | = | 72.0 | nM | 7.14 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum W2 i... | 23145816 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23145816 | 10.1021/jm300831b | Salmonella typhimurium | 4 |
| 23145816 | 10.1021/jm300831b | No relevant target | 3 |
| 23145816 | 10.1021/jm300831b | Plasmodium falciparum | 3 |
| 23145816 | 10.1021/jm300831b | Plasmodium berghei | 1 |
| 23145816 | 10.1021/jm300831b | HepG2 | 1 |
| 23145816 | 10.1021/jm300831b | NIH3T3 | 1 |
Data from ChEMBL 36 via Core Engine