Compound Detail
CHEMBL115073
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
Cc1ccc(S(=O)(=O)N2CC(N=[N+]=[N-])CC2C(=O)N[C@H](C=O)Cc2ccccc2)cc1
Basic Information
| ChEMBL ID | CHEMBL115073 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MJCWWRJKJMHIET-FDYSRKEFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
441.5
MW (Da)
2.36
ALogP
5
HBA
1
HBD
132.3
PSA (Ų)
0.29
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calpain-1 catalytic subunit CHEMBL3891 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calpain-1 catalytic subunit | IC50 | = | 28.0 | nM | 7.55 | Inhibitory activity against calpain. | 10669559 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10669559 | 10.1021/jm990412m | Calpain-1 catalytic subunit | 1 |
| 10669559 | 10.1021/jm990412m | Cathepsin B | 1 |
Data from ChEMBL 36 via Core Engine