Compound Detail
CHEMBL4164515
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Basic Information
| ChEMBL ID | CHEMBL4164515 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ARJGEKJZVHJDFS-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
441.4
MW (Da)
4.43
ALogP
5
HBA
2
HBD
78.6
PSA (Ų)
0.38
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.32 | 6.045 | 480.0 | 2 |
| Plasmodium berghei CHEMBL612653 | IC50 | 4.74 | 4.74 | 18240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 480.0 | nM | 6.32 | Antiplasmodial activity against multidrug-resistant Plasmodium falciparum FCR-3 ... | 29754074 |
| Plasmodium falciparum | IC50 | = | 1710.0 | nM | 5.77 | Antiplasmodial activity against Plasmodium falciparum FCR-3 sporozoites infected... | 29754074 |
| Plasmodium berghei | IC50 | = | 18240.0 | nM | 4.74 | Antiplasmodial activity against GFP-fused Plasmodium berghei sporozoites infecte... | 29754074 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29754074 | 10.1016/j.ejmech.2018.04.038 | Unchecked | 6 |
| 29754074 | 10.1016/j.ejmech.2018.04.038 | Plasmodium falciparum | 3 |
| 29754074 | 10.1016/j.ejmech.2018.04.038 | Plasmodium berghei | 3 |
| 29754074 | 10.1016/j.ejmech.2018.04.038 | HSP90 | 2 |
| 29754074 | 10.1016/j.ejmech.2018.04.038 | Hepatocyte | 1 |
Data from ChEMBL 36 via Core Engine