Compound Detail
CHEMBL63494
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Basic Information
| ChEMBL ID | CHEMBL63494 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ILDHXYXFZOARAP-IHRRRGAJSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
421.3
MW (Da)
1.39
ALogP
5
HBA
2
HBD
97.0
PSA (Ų)
0.30
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calpain-1 catalytic subunit CHEMBL3891 | IC50 | 6.0 | 5.85 | 1000.0 | 2 |
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 | The ability of compound to inhibit calpain in a preparation of lysed platelets w... | 1597856 |
| Calpain-1 catalytic subunit | IC50 | = | 2000.0 | nM | 5.7 | The calpain inhibitory activity(I 50) was measured as ability to enter the plate... | 1597856 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1597856 | 10.1021/jm00089a015 | Calpain-1 catalytic subunit | 3 |
Data from ChEMBL 36 via Core Engine