Compound Detail
CHEMBL555134
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Basic Information
| ChEMBL ID | CHEMBL555134 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJUGWZZUPSKPIR-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
499.1
MW (Da)
6.08
ALogP
4
HBA
2
HBD
74.3
PSA (Ų)
0.39
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.02 | 7.02 | 96.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.75 | 4.75 | 17620.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 96.0 | nM | 7.02 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2 | 19361896 |
| Plasmodium falciparum | IC50 | = | 96.0 | nM | 7.02 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2 | 20466465 |
| Unchecked | IC50 | = | 17620.0 | nM | 4.75 | Inhibition of Plasmodium falciparum falcipain-2 | 19361896 |
| Unchecked | IC50 | = | 17700.0 | nM | 4.75 | Inhibition of Plasmodium falciparum falcipain-2 | 20466465 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19361896 | 10.1016/j.ejmech.2009.02.024 | Plasmodium falciparum | 1 |
| 19361896 | 10.1016/j.ejmech.2009.02.024 | Unchecked | 1 |
| 20466465 | 10.1016/j.ejmech.2010.04.011 | Plasmodium falciparum | 1 |
| 20466465 | 10.1016/j.ejmech.2010.04.011 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine