Compound Detail
CHEMBL502850
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Basic Information
| ChEMBL ID | CHEMBL502850 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KAXKBGORPSMNKI-CTYIDZIISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
350.3
MW (Da)
5.74
ALogP
1
HBA
1
HBD
32.9
PSA (Ų)
0.74
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 50.0 | nM | 7.3 | Antimalarial activity against Plasmodium falciparum T9-96 infected Rhesus positi... | 18396855 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18396855 | 10.1021/jm0705760 | Plasmodium falciparum | 1 |
| 18396855 | 10.1021/jm0705760 | Plasmodium yoelii | 1 |
Data from ChEMBL 36 via Core Engine