Compound Detail
CHEMBL411498
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Basic Information
| ChEMBL ID | CHEMBL411498 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KDFFVZAWFLBDPT-HNNXBMFYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
383.4
MW (Da)
4.00
ALogP
7
HBA
1
HBD
107.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin S CHEMBL2954 | Ki | 5.7 | 5.7 | 2000.0 | 1 |
| Cathepsin K CHEMBL268 | Ki | 5.52 | 5.52 | 3000.0 | 1 |
| Procathepsin L CHEMBL3837 | Ki | 4.55 | 4.55 | 28000.0 | 1 |
| Cathepsin B CHEMBL4072 | Ki | 4.47 | 4.47 | 34000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin S | Ki | = | 2000.0 | nM | 5.7 | Inhibition of human recombinant cathepsin S | 18053726 |
| Cathepsin K | Ki | = | 3000.0 | nM | 5.52 | Inhibition of human recombinant cathepsin K | 18053726 |
| Procathepsin L | Ki | = | 28000.0 | nM | 4.55 | Inhibition of human recombinant cathepsin L | 18053726 |
| Cathepsin B | Ki | = | 34000.0 | nM | 4.47 | Inhibition of human liver cathepsin B | 18053726 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18053726 | 10.1016/j.bmc.2007.11.015 | Cathepsin K | 1 |
| 18053726 | 10.1016/j.bmc.2007.11.015 | Cathepsin B | 1 |
| 18053726 | 10.1016/j.bmc.2007.11.015 | Procathepsin L | 1 |
| 18053726 | 10.1016/j.bmc.2007.11.015 | Cathepsin S | 1 |
Data from ChEMBL 36 via Core Engine