Compound Detail
CHEMBL454945
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Basic Information
| ChEMBL ID | CHEMBL454945 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QJMURKFDGLVGCQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
338.4
MW (Da)
2.57
ALogP
4
HBA
0
HBD
80.2
PSA (Ų)
0.42
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.93 | 5.93 | 1180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 1180.0 | nM | 5.93 | Antimalarial activity after 48 hrs against chloroquine-sensitive Plasmodium falc... | 18215443 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19058970 | 10.1016/j.bmc.2008.10.086 | Mycobacterium tuberculosis | 2 |
| 18215443 | 10.1016/j.ejmech.2007.11.024 | Plasmodium falciparum | 2 |
| 19058970 | 10.1016/j.bmc.2008.10.086 | Vero | 1 |
| 19058970 | 10.1016/j.bmc.2008.10.086 | Unchecked | 1 |
| 18215443 | 10.1016/j.ejmech.2007.11.024 | KB | 1 |
| 18215443 | 10.1016/j.ejmech.2007.11.024 | Unchecked | 1 |
| 21506600 | 10.1021/jm2002469 | Trypanosoma cruzi | 1 |
Data from ChEMBL 36 via Core Engine