Compound Detail
CHEMBL181105
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Basic Information
| ChEMBL ID | CHEMBL181105 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZFKNRHGBCDTQQK-RXVVDRJESA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
442.6
MW (Da)
6.64
ALogP
5
HBA
1
HBD
68.3
PSA (Ų)
0.42
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin K CHEMBL268 | IC50 | 5.15 | 5.15 | 7100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin K | IC50 | = | 7100.0 | nM | 5.15 | Inhibition of 10 uM Cbz-Phe-Arg-AMC binding to human cathepsin K by fluorescence... | 15993587 |
| Cathepsin K | IC50 | = | 7100.0 | nM | 5.15 | Inhibition of human recombinant cathepsin K | 18053726 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15993587 | 10.1016/j.bmcl.2005.05.091 | Cathepsin K | 1 |
| 18053726 | 10.1016/j.bmc.2007.11.015 | Cathepsin K | 1 |
Data from ChEMBL 36 via Core Engine