Compound Detail
CHEMBL3325604
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Basic Information
| ChEMBL ID | CHEMBL3325604 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YEUDDPVZLPYOJS-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
419.4
MW (Da)
3.93
ALogP
6
HBA
1
HBD
103.0
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
| Plasmodium yoelii CHEMBL612889 | IC50 | 7.34 | 7.34 | 46.0 | 1 |
| Plasmodium cynomolgi CHEMBL613883 | IC50 | 6.52 | 6.52 | 300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 32.0 | nM | 7.5 | Antiplasmodial activity against schizont blood stage Plasmodium falciparum | 25147620 |
| Plasmodium yoelii | IC50 | = | 46.0 | nM | 7.34 | Antiplasmodial activity against blood stage schizont Plasmodium yoelii | 25147620 |
| Plasmodium cynomolgi | IC50 | = | 300.0 | nM | 6.52 | Antiplasmodial activity against hypnozoite liver stage Plasmodium cynomolgi | 25147620 |
| Plasmodium cynomolgi | IC50 | = | 300.0 | nM | 6.52 | Antiplasmodial activity against schizont liver stage Plasmodium cynomolgi | 25147620 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25147620 | 10.1021/ml500244m | Plasmodium cynomolgi | 2 |
| 25147620 | 10.1021/ml500244m | Plasmodium yoelii | 1 |
| 25147620 | 10.1021/ml500244m | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine