Compound Detail
CHEMBL381176
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Basic Information
| ChEMBL ID | CHEMBL381176 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XECCXKKOAMMTED-OLZOCXBDSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
337.3
MW (Da)
0.75
ALogP
6
HBA
2
HBD
84.2
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 9.48 | 9.445 | 0.3 | 2 |
| Hepatocyte CHEMBL613289 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 0.33 | nM | 9.48 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum D6 | 16434194 |
| Plasmodium falciparum | IC50 | = | 0.39 | nM | 9.41 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2 | 16434194 |
| Hepatocyte | IC50 | = | 17000.0 | nM | 4.77 | Cytotoxicity against rat hepatocytes | 16434194 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16434194 | 10.1016/j.bmcl.2006.01.009 | Plasmodium falciparum | 2 |
| 16434194 | 10.1016/j.bmcl.2006.01.009 | Hepatocyte | 1 |
Data from ChEMBL 36 via Core Engine