Compound Detail
CHEMBL2376296
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Basic Information
| ChEMBL ID | CHEMBL2376296 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZGCWGZACIPZDKE-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
393.9
MW (Da)
4.37
ALogP
4
HBA
0
HBD
48.3
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.16 | 4.905 | 7000.0 | 2 |
| Calpain-1 catalytic subunit CHEMBL3891 | IC50 | 4.53 | 4.53 | 29600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 7000.0 | nM | 5.16 | Inhibition of caspase-like activity of 20S proteasome in rabbit erythrocytes usi... | 23541650 |
| Unchecked | IC50 | = | 22500.0 | nM | 4.65 | Inhibition of chymotrypsin-like activity of 20S proteasome in rabbit erythrocyte... | 23541650 |
| Calpain-1 catalytic subunit | IC50 | = | 29600.0 | nM | 4.53 | Inhibition of calpain 1 in human erythrocytes using Suc-LLVY-AMC as substrate by... | 23541650 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23541650 | 10.1016/j.bmcl.2013.02.079 | Unchecked | 3 |
| 23541650 | 10.1016/j.bmcl.2013.02.079 | Calpain-1 catalytic subunit | 1 |
| 23541650 | 10.1016/j.bmcl.2013.02.079 | Cathepsin B | 1 |
Data from ChEMBL 36 via Core Engine