Compound Detail
CHEMBL521771
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
Basic Information
| ChEMBL ID | CHEMBL521771 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AWOGCPXUTJBQEG-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
406.2
MW (Da)
5.00
ALogP
5
HBA
2
HBD
105.1
PSA (Ų)
0.36
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Procathepsin L CHEMBL3837 | IC50 | 8.78 | 8.78 | 1.7 | 1 |
| Cathepsin B CHEMBL4072 | IC50 | 6.4 | 6.4 | 396.8 | 1 |
| Calpain-1 catalytic subunit CHEMBL3891 | IC50 | 5.62 | 5.525 | 2390.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Procathepsin L | IC50 | = | 1.66 | nM | 8.78 | Inhibition of human liver cathepsin L after 30 mins by fluorometric end-point as... | 19419206 |
| Cathepsin B | IC50 | = | 396.8 | nM | 6.4 | Inhibition of human liver cathepsin B after 30 mins by fluorometric end-point as... | 19419206 |
| Calpain-1 catalytic subunit | IC50 | = | 2390.0 | nM | 5.62 | Inhibition of human erythrocytes mu-calpain by fluorometric assay using pep2 as ... | 19419206 |
| Calpain-1 catalytic subunit | IC50 | = | 3730.0 | nM | 5.43 | Inhibition of human erythrocytes mu-calpain after 30 mins by fluorometric assay ... | 19419206 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19419206 | 10.1021/jm8014734 | Calpain-1 catalytic subunit | 2 |
| 19419206 | 10.1021/jm8014734 | Cathepsin B | 1 |
| 19419206 | 10.1021/jm8014734 | Procathepsin L | 1 |
| 19419206 | 10.1021/jm8014734 | Pro-cathepsin H | 1 |
| 19419206 | 10.1021/jm8014734 | Cathepsin D | 1 |
Data from ChEMBL 36 via Core Engine