Compound Detail
CHEMBL105395
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Basic Information
| ChEMBL ID | CHEMBL105395 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CDJBWPMAVJSWPS-UHFFFAOYSA-N |
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
359.4
MW (Da)
3.88
ALogP
3
HBA
3
HBD
88.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine protease 1 CHEMBL209 | Ki | 7.52 | 7.52 | 30.0 | 1 |
| Urokinase-type plasminogen activator CHEMBL3286 | Ki | 7.0 | 6.985 | 100.0 | 2 |
| Prothrombin CHEMBL204 | Ki | 6.44 | 6.44 | 360.0 | 1 |
| Plasminogen CHEMBL1801 | Ki | 6.4 | 6.4 | 400.0 | 1 |
| Kallikrein-1 CHEMBL2319 | Ki | 6.4 | 6.4 | 400.0 | 1 |
| Tissue-type plasminogen activator CHEMBL1873 | Ki | 6.06 | 6.06 | 870.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine protease 1 | Ki | = | 30.0 | nM | 7.52 | Binding affinity against trypsin | 15149645 |
| Urokinase-type plasminogen activator | Ki | = | 100.0 | nM | 7.0 | Inhibition of urokinase | 19385614 |
| Urokinase-type plasminogen activator | Ki | = | 106.0 | nM | 6.97 | Binding affinity towards Urokinase-type plasminogen activator (urokinase) | 15149645 |
| Prothrombin | Ki | = | 360.0 | nM | 6.44 | Binding affinity against thrombin | 15149645 |
| Kallikrein-1 | Ki | = | 400.0 | nM | 6.4 | Binding affinity towards P-kallikrein | 15149645 |
| Plasminogen | Ki | = | 400.0 | nM | 6.4 | Binding affinity against plasmin | 15149645 |
| Tissue-type plasminogen activator | Ki | = | 870.0 | nM | 6.06 | Binding affinity towards tissue type plasminogen activator | 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 |
Data from ChEMBL 36 via Core Engine