Compound Detail
CHEMBL69715
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Basic Information
| ChEMBL ID | CHEMBL69715 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DZIIGLSFYBYZIA-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
457.5
MW (Da)
2.47
ALogP
4
HBA
2
HBD
109.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.52
IC50 1 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calpain-1 catalytic subunit CHEMBL3891 | Ki | 7.52 | 7.52 | 30.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
| Cathepsin B CHEMBL4072 | Ki | 5.14 | 5.14 | 7300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calpain-1 catalytic subunit | Ki | = | 30.0 | nM | 7.52 | Inhibition of Suc-Leu-Tyr-AMC binding to human mu-calpain from erythrocytes | 11012026 |
| Unchecked | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of calpain-mediated pp60src degradation in platelets | 11012026 |
| Cathepsin B | Ki | = | 7300.0 | nM | 5.14 | Inhibition of human Cathepsin B | 11012026 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11012026 | 10.1016/s0960-894x(00)00430-3 | Calpain-1 catalytic subunit | 1 |
| 11012026 | 10.1016/s0960-894x(00)00430-3 | Cathepsin B | 1 |
| 11012026 | 10.1016/s0960-894x(00)00430-3 | Unchecked | 1 |
| 11012026 | 10.1016/s0960-894x(00)00430-3 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine