Compound Detail
CHEMBL224858
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Basic Information
| ChEMBL ID | CHEMBL224858 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WUMXZKFGHMFXQP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
382.5
MW (Da)
1.89
ALogP
4
HBA
0
HBD
74.8
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Falcipain 2 CHEMBL5800 | IC50 | 4.91 | 4.91 | 12400.0 | 1 |
| Cysteine protease falcipain-3 CHEMBL4510 | IC50 | 4.53 | 4.53 | 29600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Falcipain 2 | IC50 | = | 12400.0 | nM | 4.91 | Inhibition of Plasmodium falciparum recombinant falcipain-2 | 15588096 |
| Cysteine protease falcipain-3 | IC50 | = | 29600.0 | nM | 4.53 | Inhibition of Plasmodium falciparum recombinant falcipain-3 | 15588096 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15588096 | 10.1021/jm0493717 | Plasmodium falciparum | 2 |
| 15588096 | 10.1021/jm0493717 | Falcipain 2 | 1 |
| 15588096 | 10.1021/jm0493717 | Cysteine protease falcipain-3 | 1 |
| 15588096 | 10.1021/jm0493717 | Leishmania donovani | 1 |
| 15588096 | 10.1021/jm0493717 | Vero | 1 |
| 15588096 | 10.1021/jm0493717 | Cysteine protease | 1 |
| - | 10.6019/CHEMBL5305021 | Aminopeptidase | 1 |
Data from ChEMBL 36 via Core Engine