Compound Detail
CHEMBL8860
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
CCN1C(C(=O)N[C@@H](Cc2ccccc2)C(=O)C(=O)OC)Cc2cc3c(cc2S1(=O)=O)OCCO3
Basic Information
| ChEMBL ID | CHEMBL8860 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OQMHERXUKYCBIC-ZENAZSQFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
502.6
MW (Da)
0.86
ALogP
8
HBA
1
HBD
128.3
PSA (Ų)
0.44
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calpain-1 catalytic subunit CHEMBL3891 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calpain-1 catalytic subunit | IC50 | = | 1000.0 | nM | 6.0 | In vitro inhibitory activity against recombinant human calpain 1 | 15013018 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15013018 | 10.1016/j.bmcl.2003.11.037 | Calpain-1 catalytic subunit | 1 |
Data from ChEMBL 36 via Core Engine