Compound Detail
CHEMBL112995
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Basic Information
| ChEMBL ID | CHEMBL112995 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YXHVOZMIQPUFGH-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
349.4
MW (Da)
3.39
ALogP
4
HBA
3
HBD
97.4
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.58
Ki 2 meas. best 6.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urokinase-type plasminogen activator CHEMBL3286 | Ki | 6.86 | 6.86 | 139.0 | 2 |
| Urokinase-type plasminogen activator CHEMBL3286 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
| Plasminogen CHEMBL1801 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urokinase-type plasminogen activator | Ki | = | 139.0 | nM | 6.86 | Binding affinity to human urokinase-type plasminogen activator (microPa). | 14711304 |
| Urokinase-type plasminogen activator | Ki | = | 139.0 | nM | 6.86 | Inhibition of human uPA using pyroGlu-Gly-Arg-p-NA.HCl as substrate preincubated... | 22285569 |
| Urokinase-type plasminogen activator | IC50 | = | 2600.0 | nM | 5.58 | Inhibition of human uPA using pyroGlu-Gly-Arg-p-NA.HCl as substrate preincubated... | 22285569 |
| Plasminogen | IC50 | = | 13000.0 | nM | 4.89 | Inhibition of human plasma plasmin using pyroGlu-Pro-Arg-p-NA.HCl as substrate p... | 22285569 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22285569 | 10.1016/j.bmc.2011.12.040 | Urokinase-type plasminogen activator | 2 |
| 14711304 | 10.1021/jm0300072 | Urokinase-type plasminogen activator | 1 |
| 22285569 | 10.1016/j.bmc.2011.12.040 | Plasminogen | 1 |
| 22285569 | 10.1016/j.bmc.2011.12.040 | Tissue-type plasminogen activator | 1 |
| 22285569 | 10.1016/j.bmc.2011.12.040 | Prothrombin | 1 |
Data from ChEMBL 36 via Core Engine