Compound Detail
CHEMBL379402
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Basic Information
| ChEMBL ID | CHEMBL379402 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYGQNLDZRDFHQH-GIIGEWEBSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
365.5
MW (Da)
1.29
ALogP
4
HBA
4
HBD
82.6
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calpain-1 catalytic subunit CHEMBL3891 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
| Calpain-2 catalytic subunit CHEMBL4143 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calpain-1 catalytic subunit | IC50 | = | 150.0 | nM | 6.82 | Inhibition of human erythrocyte mu calpain | 16789748 |
| Calpain-2 catalytic subunit | IC50 | = | 240.0 | nM | 6.62 | Inhibition of porcein kidney m calpain | 16789748 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16789748 | 10.1021/jm060157n | Homo sapiens | 1 |
| 16789748 | 10.1021/jm060157n | No relevant target | 1 |
| 16789748 | 10.1021/jm060157n | Calpain-2 catalytic subunit | 1 |
| 16789748 | 10.1021/jm060157n | Calpain-1 catalytic subunit | 1 |
Data from ChEMBL 36 via Core Engine