Compound Detail
CHEMBL31728
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Basic Information
| ChEMBL ID | CHEMBL31728 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YISSRKAKDNMYMW-VYIIXAMBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
305.4
MW (Da)
2.73
ALogP
4
HBA
1
HBD
72.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calpain-1 catalytic subunit CHEMBL3147 | Ki | 4.35 | 4.35 | 45000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calpain-1 catalytic subunit | Ki | = | 45000.0 | nM | 4.35 | Inhibitory activity against chicken gizzard smooth muscle calpain | 10021915 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10021915 | 10.1016/s0960-894x(98)00704-5 | Calpain-1 catalytic subunit | 1 |
Data from ChEMBL 36 via Core Engine