Compound Detail
CHEMBL3218476
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Basic Information
| ChEMBL ID | CHEMBL3218476 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HVVTXVHIKQLAKZ-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
318.4
MW (Da)
1.93
ALogP
4
HBA
2
HBD
84.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Falcipain 2 CHEMBL5800 | Ki | 7.19 | 7.19 | 65.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.19 | 7.19 | 65.0 | 1 |
| Procathepsin L CHEMBL3837 | Ki | 6.09 | 6.09 | 820.0 | 2 |
| Cathepsin B CHEMBL4072 | Ki | 5.87 | 5.87 | 1350.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 65.0 | nM | 7.19 | Inhibition of Plasmodium falciparum recombinant falcipain 2 using Cbz-Leu-Arg-AM... | - |
| Falcipain 2 | Ki | = | 65.0 | nM | 7.19 | Inhibition of Plasmodium falciparum FP-2 using Cbz-Leu-Arg-AMC as substrate and ... | 36996716 |
| Procathepsin L | Ki | = | 820.0 | nM | 6.09 | Inhibition of human cathepsin L | - |
| Procathepsin L | Ki | = | 820.0 | nM | 6.09 | Inhibition of human Cathepsin L using Cbz-Phe-Arg-AMC as substrate by fluorescen... | 36996716 |
| Cathepsin B | Ki | = | 1350.0 | nM | 5.87 | Inhibition of human cathepsin B | - |
| Cathepsin B | Ki | = | 1350.0 | nM | 5.87 | Inhibition of human Cathepsin B using Cbz-Phe-Arg-AMC as substrate by fluorescen... | 36996716 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C1MD00115A | Unchecked | 3 |
| - | 10.1039/C1MD00115A | Cathepsin B | 2 |
| - | 10.1039/C1MD00115A | Procathepsin L | 2 |
| 36996716 | 10.1016/j.ejmech.2023.115299 | Unchecked | 2 |
| 36996716 | 10.1016/j.ejmech.2023.115299 | Falcipain 2 | 1 |
| 36996716 | 10.1016/j.ejmech.2023.115299 | Cathepsin B | 1 |
| 36996716 | 10.1016/j.ejmech.2023.115299 | Procathepsin L | 1 |
Data from ChEMBL 36 via Core Engine