Compound Detail
CHEMBL372139
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Basic Information
| ChEMBL ID | CHEMBL372139 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HYUNIFOAKFJSFI-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
313.4
MW (Da)
2.08
ALogP
3
HBA
2
HBD
82.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin K CHEMBL3349 | Ki | 6.39 | 6.39 | 410.0 | 1 |
| Cathepsin S CHEMBL2954 | Ki | 4.47 | 4.47 | 34000.0 | 1 |
| Cathepsin B CHEMBL4072 | Ki | 4.0 | 4.0 | 99000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin K | Ki | = | 410.0 | nM | 6.39 | Inhibitory constant against rabbit cathepsin K using Z-Phe-Arg-AMC substrate | 16302794 |
| Cathepsin S | Ki | = | 34000.0 | nM | 4.47 | Inhibitory constant against human cathepsin S using Z-Val-Val-Arg-AMC substrate | 16302794 |
| Cathepsin B | Ki | = | 99000.0 | nM | 4.0 | Inhibitory constant against human cathepsin B using Boc-Leu-Lys-Arg-AMC substrat... | 16302794 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16302794 | 10.1021/jm058198r | Cathepsin K | 1 |
| 16302794 | 10.1021/jm058198r | Cathepsin B | 1 |
| 16302794 | 10.1021/jm058198r | Procathepsin L | 1 |
| 16302794 | 10.1021/jm058198r | Cathepsin S | 1 |
Data from ChEMBL 36 via Core Engine