Compound Detail
CHEMBL3325596
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Basic Information
| ChEMBL ID | CHEMBL3325596 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTTOSRDUVSTFGU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
420.4
MW (Da)
5.17
ALogP
4
HBA
0
HBD
61.4
PSA (Ų)
0.46
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Plasmodium yoelii CHEMBL612889 | IC50 | 5.27 | 5.27 | 5400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 11.0 | nM | 7.96 | Antiplasmodial activity against schizont blood stage Plasmodium falciparum | 25147620 |
| Plasmodium yoelii | IC50 | = | 5400.0 | nM | 5.27 | Antiplasmodial activity against blood stage schizont Plasmodium yoelii | 25147620 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25147620 | 10.1021/ml500244m | Plasmodium cynomolgi | 1 |
| 25147620 | 10.1021/ml500244m | Plasmodium yoelii | 1 |
| 25147620 | 10.1021/ml500244m | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine