Compound Detail
CHEMBL190121
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL190121 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YWXWRCMYHIYBSJ-JTQLQIEISA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
239.3
MW (Da)
2.40
ALogP
4
HBA
1
HBD
65.4
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 10.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Procathepsin L CHEMBL3837 | Ki | 10.6 | 10.6 | 0.0 | 1 |
| Cathepsin B CHEMBL4072 | Ki | 10.11 | 10.11 | 0.1 | 1 |
| Pro-cathepsin H CHEMBL2225 | Ki | 8.85 | 8.85 | 1.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Procathepsin L | Ki | = | 0.025 | nM | 10.6 | Inhibition constant against human cathepsin L using Cbz-Phe-Arg-AMC | 15896958 |
| Cathepsin B | Ki | = | 0.077 | nM | 10.11 | Inhibition constant against human cathepsin B in fluorescence assay using Cbz-Ph... | 15896958 |
| Pro-cathepsin H | Ki | = | 1.4 | nM | 8.85 | Inhibition constant against human cathepsin H using L-Arg-b-naphthalamide | 15896958 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15896958 | 10.1016/j.bmcl.2005.04.032 | Cathepsin K | 1 |
| 15896958 | 10.1016/j.bmcl.2005.04.032 | Cathepsin B | 1 |
| 15896958 | 10.1016/j.bmcl.2005.04.032 | Pro-cathepsin H | 1 |
| 15896958 | 10.1016/j.bmcl.2005.04.032 | Procathepsin L | 1 |
Data from ChEMBL 36 via Core Engine