Compound Detail
CHEMBL363773
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
CCCC[C@H](NC(=O)O[C@H](Cc1nnc(-c2ccc(C(F)(F)F)cc2)o1)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL363773 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VZYZUCSJVPOQDE-VEXUSMLFSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
602.6
MW (Da)
6.44
ALogP
7
HBA
2
HBD
123.4
PSA (Ų)
0.23
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin K CHEMBL268 | IC50 | 9.39 | 7.89 | 0.4 | 2 |
| Cathepsin S CHEMBL2954 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| Cathepsin L2 CHEMBL3272 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Cathepsin B CHEMBL4072 | IC50 | 4.5 | 4.5 | 32000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin K | IC50 | = | 0.4074 | nM | 9.39 | Inhibition of human cathepsin K | 19962796 |
| Cathepsin K | IC50 | = | 410.0 | nM | 6.39 | Inhibition of 10 lM Cbz-Phe-Arg-AMC binding to human cathepsin K in fluorescence... | 15982880 |
| Cathepsin S | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of 10 lM Cbz-Val-Val-Arg-AMC binding to human cathepsin S in fluoresc... | 15982880 |
| Cathepsin L2 | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of 2 lM Cbz-Phe-Arg-AMC binding to human cathepsin V activity in fluo... | 15982880 |
| Cathepsin B | IC50 | = | 32000.0 | nM | 4.5 | Inhibition of 10 lM Cbz-Phe-Arg-AMC binding to human cathepsin B activity in flu... | 15982880 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15982880 | 10.1016/j.bmcl.2005.05.062 | Cathepsin K | 1 |
| 15982880 | 10.1016/j.bmcl.2005.05.062 | Cathepsin B | 1 |
| 15982880 | 10.1016/j.bmcl.2005.05.062 | Procathepsin L | 1 |
| 15982880 | 10.1016/j.bmcl.2005.05.062 | Cathepsin S | 1 |
| 15982880 | 10.1016/j.bmcl.2005.05.062 | Cathepsin L2 | 1 |
| 19962796 | 10.1016/j.ejmech.2009.11.010 | Cathepsin K | 1 |
Data from ChEMBL 36 via Core Engine