Compound Detail
CHEMBL4553173
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 | CHEMBL4553173 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FYNBPNBJINMBSG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
532.8
MW (Da)
6.96
ALogP
4
HBA
2
HBD
58.2
PSA (Ų)
0.22
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmepsin II CHEMBL4414 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
| Plasmepsin 4 CHEMBL3988607 | IC50 | 5.5 | 5.5 | 3190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmepsin II | IC50 | = | 350.0 | nM | 6.46 | Inhibition of Plasmodium falciparum plasmepsin 2 using fluorescently labeled pep... | 31062983 |
| Plasmepsin 4 | IC50 | = | 3190.0 | nM | 5.5 | Inhibition of Plasmodium falciparum plasmepsin 4 using fluorescently labeled pep... | 31062983 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31062983 | 10.1021/acs.jmedchem.9b00184 | Plasmepsin II | 1 |
| 31062983 | 10.1021/acs.jmedchem.9b00184 | Plasmepsin 4 | 1 |
Data from ChEMBL 36 via Core Engine