Compound Detail
CHEMBL104166
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Basic Information
| ChEMBL ID | CHEMBL104166 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSWQJKHBMACTGB-UHFFFAOYSA-N |
6
Targets
8
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
411.5
MW (Da)
3.37
ALogP
6
HBA
5
HBD
142.8
PSA (Ų)
0.24
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 9.21
IC50 1 meas. best 9.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urokinase-type plasminogen activator CHEMBL3286 | IC50 | 9.21 | 9.21 | 0.6 | 1 |
| Urokinase-type plasminogen activator CHEMBL3286 | Ki | 9.21 | 9.205 | 0.6 | 2 |
| Serine protease 1 CHEMBL209 | Ki | 7.7 | 7.7 | 20.0 | 1 |
| Kallikrein-1 CHEMBL2319 | Ki | 7.4 | 7.4 | 40.0 | 1 |
| Plasminogen CHEMBL1801 | Ki | 6.82 | 6.82 | 150.0 | 1 |
| Tissue-type plasminogen activator CHEMBL1873 | Ki | 6.17 | 6.17 | 680.0 | 1 |
| Prothrombin CHEMBL204 | Ki | 6.03 | 6.03 | 940.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urokinase-type plasminogen activator | IC50 | = | 0.62 | nM | 9.21 | Inhibition of uPA (unknown origin) | 30130401 |
| Urokinase-type plasminogen activator | Ki | = | 0.62 | nM | 9.21 | Binding affinity towards Urokinase-type plasminogen activator (urokinase) | 15149645 |
| Urokinase-type plasminogen activator | Ki | = | 0.631 | nM | 9.2 | Inhibition of urokinase | 19385614 |
| Serine protease 1 | Ki | = | 20.0 | nM | 7.7 | Binding affinity against trypsin | 15149645 |
| Kallikrein-1 | Ki | = | 40.0 | nM | 7.4 | Binding affinity towards P-kallikrein | 15149645 |
| Plasminogen | Ki | = | 150.0 | nM | 6.82 | Binding affinity against plasmin | 15149645 |
| Tissue-type plasminogen activator | Ki | = | 680.0 | nM | 6.17 | Binding affinity towards tissue type plasminogen activator | 15149645 |
| Prothrombin | Ki | = | 940.0 | nM | 6.03 | Binding affinity against thrombin | 15149645 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15149645 | 10.1016/s0960-894x(04)00530-x | Urokinase-type plasminogen activator | 1 |
| 15149645 | 10.1016/s0960-894x(04)00530-x | Kallikrein-1 | 1 |
| 15149645 | 10.1016/s0960-894x(04)00530-x | Tissue-type plasminogen activator | 1 |
| 15149645 | 10.1016/s0960-894x(04)00530-x | Serine protease 1 | 1 |
| 15149645 | 10.1016/s0960-894x(04)00530-x | Plasminogen | 1 |
| 15149645 | 10.1016/s0960-894x(04)00530-x | Prothrombin | 1 |
| 19385614 | 10.1021/jm801444x | Urokinase-type plasminogen activator | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
| 30130401 | 10.1021/acs.jmedchem.8b00838 | Urokinase-type plasminogen activator | 1 |
Data from ChEMBL 36 via Core Engine