Compound Detail
CHEMBL272375
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Basic Information
| ChEMBL ID | CHEMBL272375 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSOOXDXAJXMTRR-INIZCTEOSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
381.4
MW (Da)
3.82
ALogP
6
HBA
1
HBD
98.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin K CHEMBL268 | Ki | 5.02 | 5.02 | 9600.0 | 1 |
| Cathepsin B CHEMBL4072 | Ki | 4.6 | 4.6 | 25000.0 | 1 |
| Cathepsin S CHEMBL2954 | Ki | 4.58 | 4.58 | 26000.0 | 1 |
| Procathepsin L CHEMBL3837 | Ki | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin K | Ki | = | 9600.0 | nM | 5.02 | Inhibition of human recombinant cathepsin K | 18053726 |
| Cathepsin B | Ki | = | 25000.0 | nM | 4.6 | Inhibition of human liver cathepsin B | 18053726 |
| Cathepsin S | Ki | = | 26000.0 | nM | 4.58 | Inhibition of human recombinant cathepsin S | 18053726 |
| Procathepsin L | Ki | = | 100000.0 | nM | 4.0 | Inhibition of human recombinant cathepsin L | 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