Compound Detail
CHEMBL111543
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Basic Information
| ChEMBL ID | CHEMBL111543 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DXFJLEXWZBCHSJ-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
405.5
MW (Da)
4.95
ALogP
4
HBA
3
HBD
97.4
PSA (Ų)
0.38
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine protease 1 CHEMBL209 | Ki | 7.89 | 7.89 | 13.0 | 1 |
| Urokinase-type plasminogen activator CHEMBL3286 | Ki | 7.55 | 7.55 | 28.0 | 1 |
| Tissue-type plasminogen activator CHEMBL1873 | Ki | 6.1 | 6.1 | 790.0 | 1 |
| Plasminogen CHEMBL1801 | Ki | 5.97 | 5.97 | 1060.0 | 1 |
| Plasma kallikrein CHEMBL2000 | Ki | 5.37 | 5.37 | 4300.0 | 1 |
| Prothrombin CHEMBL204 | Ki | 4.66 | 4.66 | 21700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine protease 1 | Ki | = | 13.0 | nM | 7.89 | Binding affinity against porcine trypsin was determined. | 14711304 |
| Urokinase-type plasminogen activator | Ki | = | 28.0 | nM | 7.55 | Binding affinity to human urokinase-type plasminogen activator (microPa). | 14711304 |
| Tissue-type plasminogen activator | Ki | = | 790.0 | nM | 6.1 | Binding affinity towards human Tissue type plasminogen activator. | 14711304 |
| Plasminogen | Ki | = | 1060.0 | nM | 5.97 | Binding affinity towards human plasmin. | 14711304 |
| Plasma kallikrein | Ki | = | 4300.0 | nM | 5.37 | Binding affinity against human plasma kallikrein. | 14711304 |
| Prothrombin | Ki | = | 21700.0 | nM | 4.66 | Binding affinity against human alpha thrombin. | 14711304 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14711304 | 10.1021/jm0300072 | Urokinase-type plasminogen activator | 1 |
| 14711304 | 10.1021/jm0300072 | Plasma kallikrein | 1 |
| 14711304 | 10.1021/jm0300072 | Tissue-type plasminogen activator | 1 |
| 14711304 | 10.1021/jm0300072 | Serine protease 1 | 1 |
| 14711304 | 10.1021/jm0300072 | Plasminogen | 1 |
| 14711304 | 10.1021/jm0300072 | Prothrombin | 1 |
Data from ChEMBL 36 via Core Engine