Compound Detail
CHEMBL228113
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Basic Information
| ChEMBL ID | CHEMBL228113 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UGFABUVNULNZNU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
481.0
MW (Da)
1.24
ALogP
6
HBA
3
HBD
153.0
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urokinase-type plasminogen activator CHEMBL3286 | Ki | 8.8 | 8.8 | 1.6 | 1 |
| Tissue-type plasminogen activator CHEMBL1873 | Ki | 4.46 | 4.46 | 34400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urokinase-type plasminogen activator | Ki | = | 1.6 | nM | 8.8 | Inhibition of human uPA | 17447747 |
| Tissue-type plasminogen activator | Ki | = | 34400.0 | nM | 4.46 | Inhibition of human tPA | 17447747 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17447747 | 10.1021/jm061066t | Urokinase-type plasminogen activator | 1 |
| 17447747 | 10.1021/jm061066t | Tissue-type plasminogen activator | 1 |
| 17447747 | 10.1021/jm061066t | Plasminogen | 1 |
Data from ChEMBL 36 via Core Engine