Compound Detail
CHEMBL92250
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Basic Information
| ChEMBL ID | CHEMBL92250 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XDLJIVLILSOHRM-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
297.3
MW (Da)
2.13
ALogP
5
HBA
4
HBD
141.9
PSA (Ų)
0.25
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urokinase-type plasminogen activator CHEMBL3286 | Ki | 5.48 | 5.48 | 3300.0 | 1 |
| Coagulation factor X CHEMBL244 | Ki | 5.11 | 5.11 | 7800.0 | 1 |
| Serine protease 1 CHEMBL209 | Ki | 4.52 | 4.52 | 30000.0 | 1 |
| Prothrombin CHEMBL204 | Ki | 4.47 | 4.47 | 34000.0 | 1 |
| Plasminogen CHEMBL1801 | Ki | 4.39 | 4.39 | 41000.0 | 1 |
| Tissue-type plasminogen activator CHEMBL1873 | Ki | 4.25 | 4.25 | 56000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urokinase-type plasminogen activator | Ki | = | 3300.0 | nM | 5.48 | Inhibitory concentration against Human Serine Protease Urokinase Plasminogen Act... | 11495587 |
| Coagulation factor X | Ki | = | 7800.0 | nM | 5.11 | Binding affinity against human coagulation factor X | 11495587 |
| Serine protease 1 | Ki | = | 30000.0 | nM | 4.52 | Activity against Human Serine Protease Trypsin | 11495587 |
| Prothrombin | Ki | = | 34000.0 | nM | 4.47 | Activity against Human Serine Protease Thrombin | 11495587 |
| Plasminogen | Ki | = | 41000.0 | nM | 4.39 | Inhibition of Human Serine Protease Plasmin | 11495587 |
| Tissue-type plasminogen activator | Ki | = | 56000.0 | nM | 4.25 | Inhibition of Human Serine Protease tissue type Plasminogen Activator | 11495587 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11495587 | 10.1021/jm0100638 | Urokinase-type plasminogen activator | 1 |
| 11495587 | 10.1021/jm0100638 | Tissue-type plasminogen activator | 1 |
| 11495587 | 10.1021/jm0100638 | Coagulation factor X | 1 |
| 11495587 | 10.1021/jm0100638 | Prothrombin | 1 |
| 11495587 | 10.1021/jm0100638 | Plasminogen | 1 |
| 11495587 | 10.1021/jm0100638 | Serine protease 1 | 1 |
Data from ChEMBL 36 via Core Engine