Compound Detail
CHEMBL5414513
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5414513 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AKILXHLETQGHJH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
354.8
MW (Da)
4.48
ALogP
4
HBA
1
HBD
43.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium berghei CHEMBL612653 | IC50 | 6.32 | 6.32 | 480.0 | 1 |
| Hemozoin CHEMBL613898 | IC50 | 6.32 | 6.32 | 480.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hemozoin | IC50 | = | 480.0 | nM | 6.32 | Inhibition of beta-hematin formation | 37484560 |
| Plasmodium berghei | IC50 | = | 480.0 | nM | 6.32 | Antimalarial activity against Plasmodium berghei ANKA | 37163950 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37484560 | 10.1039/d3md00083d | Hemozoin | 1 |
| 37163950 | 10.1016/j.ejmech.2023.115458 | Plasmodium berghei | 1 |
Data from ChEMBL 36 via Core Engine