Compound Detail
CHEMBL341014
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Basic Information
| ChEMBL ID | CHEMBL341014 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSKGFHNQMOIAFM-SFTDATJTSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
396.5
MW (Da)
3.25
ALogP
4
HBA
2
HBD
84.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.0
Ki 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calpain-1 catalytic subunit CHEMBL3891 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Procathepsin L CHEMBL3837 | Ki | 7.7 | 7.7 | 20.0 | 1 |
| Calpain 1 CHEMBL2111357 | IC50 | 7.46 | 7.46 | 35.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calpain-1 catalytic subunit | IC50 | = | 10.0 | nM | 8.0 | Inhibitory activity evaluated against recombinant human calpain 1 | - |
| Procathepsin L | Ki | = | 20.0 | nM | 7.7 | Inhibitory activity against recombinant human cathepsin L | 14684304 |
| Calpain 1 | IC50 | = | 35.0 | nM | 7.46 | Inhibition of Calpain 1 by [3H]acetyl-casein assay | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00042-R | Calpain 1 | 1 |
| 14684304 | 10.1016/j.bmcl.2003.10.009 | Procathepsin L | 1 |
| - | 10.1016/S0960-894X(97)00063-2 | Calpain-1 catalytic subunit | 1 |
| 23791076 | 10.1016/j.bmcl.2013.05.093 | Ubiquitin carboxyl-terminal hydrolase 5 | 1 |
Data from ChEMBL 36 via Core Engine