Compound Detail
CHEMBL476633
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Basic Information
| ChEMBL ID | CHEMBL476633 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXSAGLCBIDTEKI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
529.1
MW (Da)
6.05
ALogP
6
HBA
1
HBD
49.2
PSA (Ų)
0.25
QED
2
Ro5 Violations
8
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 | 7.64 | 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-resistant Plasmodium falciparum K1 | 19054674 |
| Plasmodium falciparum | IC50 | = | 23.0 | nM | 7.64 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 ass... | 25913864 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19054674 | 10.1016/j.bmcl.2008.11.047 | ADMET | 1 |
| 19054674 | 10.1016/j.bmcl.2008.11.047 | Plasmodium falciparum | 1 |
| 19054674 | 10.1016/j.bmcl.2008.11.047 | L6 | 1 |
| 25913864 | 10.1016/j.bmc.2015.04.017 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine