Compound Detail
CHEMBL3221947
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Basic Information
| ChEMBL ID | CHEMBL3221947 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GILNKFVWOCICBZ-WTKPLQERSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
345.2
MW (Da)
3.13
ALogP
2
HBA
3
HBD
53.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calpain-1 catalytic subunit CHEMBL4062 | IC50 | 7.05 | 6.855 | 90.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calpain-1 catalytic subunit | IC50 | = | 90.0 | nM | 7.05 | Inhibition of Ca2+-dependent activation of porcine calpain-1 using H-K(FAM)-EVYG... | - |
| Calpain-1 catalytic subunit | IC50 | = | 220.0 | nM | 6.66 | Inhibition of Ca2+-dependent activation of porcine calpain-1 using SucLY-AMC as ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C2MD00280A | Calpain-1 catalytic subunit | 2 |
Data from ChEMBL 36 via Core Engine