Compound Detail
CHEMBL4578117
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Basic Information
| ChEMBL ID | CHEMBL4578117 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MCBLNMDMXVJSCB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
504.7
MW (Da)
6.18
ALogP
4
HBA
2
HBD
58.2
PSA (Ų)
0.29
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmepsin II CHEMBL4414 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| Plasmepsin 4 CHEMBL3988607 | IC50 | 6.37 | 6.37 | 430.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmepsin II | IC50 | = | 70.0 | nM | 7.16 | Inhibition of Plasmodium falciparum plasmepsin 2 using fluorescently labeled pep... | 31062983 |
| Plasmepsin 4 | IC50 | = | 430.0 | nM | 6.37 | 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