Compound Detail
CHEMBL4458461
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Basic Information
| ChEMBL ID | CHEMBL4458461 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FCCCRBDJBTVFSJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
102.1
MW (Da)
-0.22
ALogP
2
HBA
2
HBD
55.1
PSA (Ų)
0.29
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin D CHEMBL2581 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Plasmepsin II CHEMBL4414 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmepsin II | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of Plasmodium falciparum plasmepsin 2 using DABCYL-Glu-Arg-Nle-Phe-Le... | 31062983 |
| Cathepsin D | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of human liver cathepsin D using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-P... | 31062983 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31062983 | 10.1021/acs.jmedchem.9b00184 | Plasmepsin II | 1 |
| 31062983 | 10.1021/acs.jmedchem.9b00184 | Cathepsin D | 1 |
Data from ChEMBL 36 via Core Engine