Compound Detail
CHEMBL281518
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Basic Information
| ChEMBL ID | CHEMBL281518 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQAJJNPCVYMTSC-DLBZAZTESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
1.14
ALogP
4
HBA
3
HBD
96.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin B CHEMBL2602 | IC50 | 4.87 | 4.87 | 13600.0 | 1 |
| Procathepsin L CHEMBL3837 | IC50 | 4.43 | 4.43 | 37400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin B | IC50 | = | 13600.0 | nM | 4.87 | Inhibition of recombinant rat Cathepsin B | 12467634 |
| Procathepsin L | IC50 | = | 37400.0 | nM | 4.43 | Inhibition of recombinant human Cathepsin L | 12467634 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12467634 | 10.1016/s0960-894x(02)00831-4 | Cathepsin B | 1 |
| 12467634 | 10.1016/s0960-894x(02)00831-4 | Procathepsin L | 1 |
| 12467634 | 10.1016/s0960-894x(02)00831-4 | Cathepsin K | 1 |
| 12467634 | 10.1016/s0960-894x(02)00831-4 | Cathepsin S | 1 |
| 12467634 | 10.1016/s0960-894x(02)00831-4 | Neutrophil elastase | 1 |
Data from ChEMBL 36 via Core Engine