Compound Detail
CHEMBL200181
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Basic Information
| ChEMBL ID | CHEMBL200181 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PFTNGMXDAPTVQN-AWEZNQCLSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
320.4
MW (Da)
1.83
ALogP
4
HBA
2
HBD
84.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin K CHEMBL268 | Ki | 5.68 | 5.68 | 2100.0 | 1 |
| Cathepsin S CHEMBL2954 | Ki | 5.68 | 5.68 | 2100.0 | 1 |
| Procathepsin L CHEMBL2113 | Ki | 5.64 | 5.64 | 2300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin S | Ki | = | 2100.0 | nM | 5.68 | Inhibitory activity against human cathepsin S using Z-Val-Val-Arg-NHMec substrat... | 16302809 |
| Cathepsin K | Ki | = | 2100.0 | nM | 5.68 | Inhibitory activity against human cathepsin K using Z-Leu-Arg-NHMec substrate | 16302809 |
| Procathepsin L | Ki | = | 2300.0 | nM | 5.64 | 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