Compound Detail
CHEMBL70044
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Basic Information
| ChEMBL ID | CHEMBL70044 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WSXHOLKYRDDXDX-VAWYXSNFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
433.5
MW (Da)
1.72
ALogP
4
HBA
2
HBD
109.6
PSA (Ų)
0.49
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calpain-1 catalytic subunit CHEMBL3891 | Ki | 6.34 | 6.34 | 460.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calpain-1 catalytic subunit | Ki | = | 460.0 | nM | 6.34 | Inhibition of Suc-Leu-Tyr-AMC binding to human mu-calpain from erythrocytes | 11012026 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11012026 | 10.1016/s0960-894x(00)00430-3 | Calpain-1 catalytic subunit | 1 |
Data from ChEMBL 36 via Core Engine