Compound Detail
CHEMBL227421
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Basic Information
| ChEMBL ID | CHEMBL227421 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XSDAXWRCPTYNOD-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
385.8
MW (Da)
0.93
ALogP
5
HBA
4
HBD
160.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.0
IC50 2 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urokinase-type plasminogen activator CHEMBL3286 | Ki | 8.0 | 8.0 | 10.0 | 2 |
| Urokinase-type plasminogen activator CHEMBL1075030 | IC50 | 6.41 | 6.41 | 390.0 | 1 |
| Urokinase-type plasminogen activator CHEMBL3286 | IC50 | 6.05 | 6.05 | 890.0 | 1 |
| Plasminogen CHEMBL1801 | Ki | 4.57 | 4.57 | 27000.0 | 1 |
| Tissue-type plasminogen activator CHEMBL1873 | Ki | 4.4 | 4.4 | 40000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urokinase-type plasminogen activator | Ki | = | 10.0 | nM | 8.0 | Inhibition of human uPA | 17447747 |
| Urokinase-type plasminogen activator | Ki | = | 10.0 | nM | 8.0 | Inhibition of human uPA using S-2444 as substrate | 26575094 |
| Urokinase-type plasminogen activator | IC50 | = | 390.0 | nM | 6.41 | Inhibition of uPA in pig granulation tissue homogenate | 17447747 |
| Urokinase-type plasminogen activator | IC50 | = | 890.0 | nM | 6.05 | Inhibition of human uPA in human wound fluid | 17447747 |
| Plasminogen | Ki | = | 27000.0 | nM | 4.57 | Inhibition of human plasmin | 17447747 |
| Tissue-type plasminogen activator | Ki | = | 40000.0 | nM | 4.4 | Inhibition of human tPA | 17447747 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17447747 | 10.1021/jm061066t | Urokinase-type plasminogen activator | 4 |
| 17447747 | 10.1021/jm061066t | No relevant target | 3 |
| 17447747 | 10.1021/jm061066t | Plasma | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 17447747 | 10.1021/jm061066t | Coagulation factor VII | 1 |
| 17447747 | 10.1021/jm061066t | Coagulation factor IX | 1 |
| 17447747 | 10.1021/jm061066t | Coagulation factor X | 1 |
| 17447747 | 10.1021/jm061066t | Tissue-type plasminogen activator | 1 |
| 17447747 | 10.1021/jm061066t | Plasminogen | 1 |
| 17447747 | 10.1021/jm061066t | Prothrombin | 1 |
| 17447747 | 10.1021/jm061066t | ADMET | 1 |
| 26575094 | 10.1021/acs.jmedchem.5b01171 | Urokinase-type plasminogen activator | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine