Compound Detail
CHEMBL4541926
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Basic Information
| ChEMBL ID | CHEMBL4541926 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBMMVEUBYWJFBW-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
476.7
MW (Da)
5.40
ALogP
4
HBA
2
HBD
58.2
PSA (Ų)
0.38
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmepsin 4 CHEMBL3988607 | IC50 | 7.3 | 7.3 | 50.0 | 2 |
| Plasmepsin II CHEMBL4414 | IC50 | 6.89 | 6.89 | 130.0 | 2 |
| Cathepsin D CHEMBL2581 | IC50 | 5.69 | 5.69 | 2030.0 | 1 |
| Cathepsin E CHEMBL3092 | IC50 | 5.15 | 5.15 | 7050.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmepsin 4 | IC50 | = | 50.0 | nM | 7.3 | Inhibition of Plasmodium falciparum plasmepsin 4 using fluorescently labeled pep... | 31062983 |
| Plasmepsin 4 | IC50 | = | 50.0 | nM | 7.3 | Inhibition of recombinant Plasmodium falciparum Plasmepsin 4 | 31913032 |
| Plasmepsin II | IC50 | = | 130.0 | nM | 6.89 | Inhibition of Plasmodium falciparum plasmepsin 2 using fluorescently labeled pep... | 31062983 |
| Plasmepsin II | IC50 | = | 130.0 | nM | 6.89 | Inhibition of recombinant Plasmodium falciparum Plasmepsin 2 | 31913032 |
| Cathepsin D | IC50 | = | 2030.0 | nM | 5.69 | Inhibition of human cathepsin D | 31913032 |
| Cathepsin E | IC50 | = | 7050.0 | nM | 5.15 | Inhibition of human cathepsin E | 31913032 |
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 |
| 31913032 | 10.1021/acs.jmedchem.9b01622 | Plasmepsin II | 1 |
| 31913032 | 10.1021/acs.jmedchem.9b01622 | Cathepsin D | 1 |
| 31913032 | 10.1021/acs.jmedchem.9b01622 | Plasmepsin 4 | 1 |
| 31913032 | 10.1021/acs.jmedchem.9b01622 | Cathepsin E | 1 |
Data from ChEMBL 36 via Core Engine