Compound Detail
CHEMBL5431287
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Basic Information
| ChEMBL ID | CHEMBL5431287 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CQMGBOABVHULQH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
391.9
MW (Da)
4.93
ALogP
5
HBA
1
HBD
46.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hemozoin CHEMBL613898 | IC50 | 5.96 | 5.63 | 1090.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hemozoin | IC50 | = | 1090.0 | nM | 5.96 | Inhibition of Beta-hematin formation in Plasmodium falciparum K1 by spectrophoto... | 37163950 |
| Hemozoin | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of Beta-hematin formation in Plasmodium falciparum 3D7 by spectrophot... | 37163950 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37163950 | 10.1016/j.ejmech.2023.115458 | Hemozoin | 2 |
Data from ChEMBL 36 via Core Engine