Compound Detail
CHEMBL597426
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
C[C@H](C(N)=O)c1ccc(-c2ccc([C@H](N[C@@H](CC(C)(C)F)C(=O)NC3(C#N)CC3)C(F)(F)F)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL597426 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FKVMFQHSZHUOCA-SSKFGXFMSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
518.6
MW (Da)
4.81
ALogP
4
HBA
3
HBD
108.0
PSA (Ų)
0.39
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin K CHEMBL268 | IC50 | 9.7 | 9.7 | 0.2 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.46 | 7.46 | 35.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin K | IC50 | = | 0.2 | nM | 9.7 | Inhibition of humanized rabbit cathepsin K | 20061146 |
| Unchecked | IC50 | = | 35.0 | nM | 7.46 | Decrease in bone resorption assessed as corrected bone resorption measured as ra... | 20061146 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20061146 | 10.1016/j.bmcl.2009.12.083 | Unchecked | 5 |
| 20061146 | 10.1016/j.bmcl.2009.12.083 | Cathepsin K | 1 |
Data from ChEMBL 36 via Core Engine