Compound Detail
CHEMBL26631
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Basic Information
| ChEMBL ID | CHEMBL26631 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QMGUOQJGNPDVOU-FOCLMDBBSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
355.4
MW (Da)
4.40
ALogP
2
HBA
1
HBD
46.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calpain-1 catalytic subunit CHEMBL3891 | Ki | 6.85 | 6.85 | 140.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calpain-1 catalytic subunit | Ki | = | 140.0 | nM | 6.85 | Inhibition of calpain, using human mu-calpain isolated from erythrocytes and Suc... | 11992771 |
| Calpain-1 catalytic subunit | Ki | = | 140.0 | nM | 6.85 | Inhibitory activity against human Calpain 1 isolated from erythrocytes | 12773044 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12773044 | 10.1021/jm0210717 | Calpain-1 catalytic subunit | 2 |
| 11992771 | 10.1016/s0960-894x(02)00176-2 | Calpain-1 catalytic subunit | 1 |
| 12773044 | 10.1021/jm0210717 | Cathepsin B | 1 |
Data from ChEMBL 36 via Core Engine