Compound Detail
CHEMBL227781
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Basic Information
| ChEMBL ID | CHEMBL227781 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NNEJXIJKGKRBBF-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
341.4
MW (Da)
1.94
ALogP
4
HBA
3
HBD
123.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urokinase-type plasminogen activator CHEMBL3286 | Ki | 6.8 | 6.8 | 160.0 | 1 |
| Plasminogen CHEMBL1801 | Ki | 5.5 | 5.5 | 3200.0 | 1 |
| Tissue-type plasminogen activator CHEMBL1873 | Ki | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urokinase-type plasminogen activator | Ki | = | 160.0 | nM | 6.8 | Inhibition of human uPA | 17447747 |
| Plasminogen | Ki | = | 3200.0 | nM | 5.5 | Inhibition of human plasmin | 17447747 |
| Tissue-type plasminogen activator | Ki | = | 15000.0 | nM | 4.82 | Inhibition of human tPA | 17447747 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17447747 | 10.1021/jm061066t | Urokinase-type plasminogen activator | 1 |
| 17447747 | 10.1021/jm061066t | Tissue-type plasminogen activator | 1 |
| 17447747 | 10.1021/jm061066t | Plasminogen | 1 |
Data from ChEMBL 36 via Core Engine