Compound Detail
CHEMBL518280
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Basic Information
| ChEMBL ID | CHEMBL518280 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TTXKBCYRNKQLGE-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
414.4
MW (Da)
1.74
ALogP
9
HBA
5
HBD
137.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.62 | 5.48 | 2400.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 2400.0 | nM | 5.62 | Antimalarial activity against chloroquine-resistant/mefloquine-sensitive Plasmod... | 25488841 |
| Plasmodium falciparum | IC50 | = | 2900.0 | nM | 5.54 | Antimalarial activity against chloroquine-sensitive/mefloquine-resistant Plasmod... | 25488841 |
| Plasmodium falciparum | IC50 | = | 5300.0 | nM | 5.28 | Antimalarial activity against chloroquine /mefloquine/pyrimethamine-resistant Pl... | 25488841 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25488841 | 10.1016/j.bmcl.2014.11.039 | Plasmodium falciparum | 3 |
| 18639462 | 10.1016/j.bmc.2008.06.055 | Cyclin-dependent kinase 1/cyclin B1 | 1 |
| 25488841 | 10.1016/j.bmcl.2014.11.039 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine