Compound Detail
CHEMBL1669440
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
CC(C)C[C@H](N[C@@H](c1ccc(-c2ccc(C(O)C(F)(F)F)cc2)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1
Basic Information
| ChEMBL ID | CHEMBL1669440 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZLOCRMCKNZFWDQ-LGTSYYJHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
527.5
MW (Da)
5.73
ALogP
4
HBA
3
HBD
85.2
PSA (Ų)
0.36
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin K CHEMBL268 | IC50 | 8.8 | 8.8 | 1.6 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin K | IC50 | = | 1.6 | nM | 8.8 | Inhibition of humanized rabbit cathepsin K | 21232956 |
| Unchecked | IC50 | = | 21.0 | nM | 7.68 | Ratio of product of IC50 for rabbit bone resorption and IC50 for humanized rabbi... | 21232956 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21232956 | 10.1016/j.bmcl.2010.12.070 | Unchecked | 5 |
| 21232956 | 10.1016/j.bmcl.2010.12.070 | Cathepsin K | 1 |
Data from ChEMBL 36 via Core Engine