Compound Detail
CHEMBL219416
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Basic Information
| ChEMBL ID | CHEMBL219416 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OEEYCNOOAHGFHL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
137.1
MW (Da)
-0.96
ALogP
4
HBA
2
HBD
87.3
PSA (Ų)
0.49
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 4.42 | 4.235 | 38000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 38000.0 | nM | 4.42 | Antiplasmodial activity against Plasmodium falciparum 3D7 | 17149876 |
| Plasmodium falciparum | IC50 | = | 90000.0 | nM | 4.05 | Inhibition of [3H]hypoxanthine uptake in Plasmodium falciparum 3D7 | 17149876 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17149876 | 10.1021/jm061012j | Hypoxanthine-guanine phosphoribosyltransferase | 2 |
| 17149876 | 10.1021/jm061012j | Unchecked | 2 |
| 17149876 | 10.1021/jm061012j | Plasmodium falciparum | 2 |
| 31484 | 10.1021/jm00207a008 | Purine nucleoside phosphorylase | 1 |
Data from ChEMBL 36 via Core Engine