Compound Detail
CHEMBL513049
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 | CHEMBL513049 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DPQKVMMXFBIGGX-NRFANRHFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
394.5
MW (Da)
3.22
ALogP
3
HBA
2
HBD
75.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calpain-1 catalytic subunit CHEMBL4062 | Ki | 7.1 | 7.1 | 80.0 | 1 |
| Cathepsin B CHEMBL4072 | Ki | 5.54 | 5.54 | 2910.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calpain-1 catalytic subunit | Ki | = | 80.0 | nM | 7.1 | Inhibition of pig erythrocyte mu-calpain | 18694642 |
| Cathepsin B | Ki | = | 2910.0 | nM | 5.54 | Inhibition of human liver cathepsin B | 18694642 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18694642 | 10.1016/j.bmcl.2008.07.094 | Calpain-1 catalytic subunit | 1 |
| 18694642 | 10.1016/j.bmcl.2008.07.094 | Cathepsin B | 1 |
| 18694642 | 10.1016/j.bmcl.2008.07.094 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine