Compound Detail
CHEMBL200004
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Basic Information
| ChEMBL ID | CHEMBL200004 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OHPJKVGJQUYVFQ-VIFPVBQESA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
255.3
MW (Da)
1.18
ALogP
4
HBA
2
HBD
91.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 5.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.83 | 5.83 | 1490.0 | 1 |
| Papain CHEMBL4779 | Ki | 5.7 | 5.7 | 2000.0 | 1 |
| Procathepsin L CHEMBL2113 | Ki | 5.55 | 5.55 | 2800.0 | 1 |
| Cathepsin S CHEMBL2954 | Ki | 5.21 | 5.21 | 6200.0 | 1 |
| Cathepsin K CHEMBL268 | Ki | 5.19 | 5.19 | 6500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 1490.0 | nM | 5.83 | Inhibition of Trypanosoma brucei rhodesain using Cbz-Phe-Arg-AMC as substrate by... | 27890381 |
| Papain | Ki | = | 2000.0 | nM | 5.7 | Inhibitory activity against papain using Z-Phe-Arg-NHNp substrate | 16302809 |
| Procathepsin L | Ki | = | 2800.0 | nM | 5.55 | Inhibitory activity against bovine cathepsin L using Z-Phe-Arg-NHMec substrate | 16302809 |
| Cathepsin S | Ki | = | 6200.0 | nM | 5.21 | Inhibitory activity against human cathepsin S using Z-Val-Val-Arg-NHMec substrat... | 16302809 |
| Cathepsin K | Ki | = | 6500.0 | nM | 5.19 | Inhibitory activity against human cathepsin K using Z-Leu-Arg-NHMec substrate | 16302809 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27890381 | 10.1016/j.bmcl.2016.11.036 | Unchecked | 2 |
| 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 |
| 26985300 | 10.1021/acsmedchemlett.5b00474 | Cathepsin B | 1 |
Data from ChEMBL 36 via Core Engine