Compound Detail
CHEMBL200338
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Basic Information
| ChEMBL ID | CHEMBL200338 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LVYWXNHSBUSHNC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
303.3
MW (Da)
0.76
ALogP
4
HBA
2
HBD
99.1
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin S CHEMBL2954 | Ki | 5.6 | 5.6 | 2500.0 | 1 |
| Papain CHEMBL4779 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
| Procathepsin L CHEMBL2113 | Ki | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin S | Ki | = | 2500.0 | nM | 5.6 | Inhibitory activity against human cathepsin S using Z-Val-Val-Arg-NHMec substrat... | 16302809 |
| Papain | Ki | = | 10000.0 | nM | 5.0 | Inhibitory activity against papain using Z-Phe-Arg-NHNp substrate | 16302809 |
| Procathepsin L | Ki | = | 25000.0 | nM | 4.6 | Inhibitory activity against bovine cathepsin L using Z-Phe-Arg-NHMec substrate | 16302809 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16302809 | 10.1021/jm050686b | Papain | 1 |
| 16302809 | 10.1021/jm050686b | Procathepsin L | 1 |
| 16302809 | 10.1021/jm050686b | Cathepsin S | 1 |
| 16302809 | 10.1021/jm050686b | Cathepsin K | 1 |
Data from ChEMBL 36 via Core Engine