Compound Detail
CHEMBL111576
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Basic Information
| ChEMBL ID | CHEMBL111576 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UXNWIRHZMHGOCE-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
340.8
MW (Da)
3.56
ALogP
3
HBA
4
HBD
112.1
PSA (Ų)
0.43
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.43
IC50 1 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urokinase-type plasminogen activator CHEMBL3286 | IC50 | 7.43 | 7.43 | 37.0 | 1 |
| Urokinase-type plasminogen activator CHEMBL3286 | Ki | 7.43 | 7.43 | 37.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urokinase-type plasminogen activator | IC50 | = | 37.0 | nM | 7.43 | Inhibition of uPA | 18163548 |
| Urokinase-type plasminogen activator | Ki | = | 37.0 | nM | 7.43 | Inhibitory activity against human urokinase-type plasminogen activator was evalu... | 15149680 |
| Urokinase-type plasminogen activator | Ki | = | 37.0 | nM | 7.43 | Inhibition of human uPA using S-2444 as substrate | 26575094 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15149680 | 10.1016/j.bmcl.2004.03.094 | Urokinase-type plasminogen activator | 1 |
| 15149680 | 10.1016/j.bmcl.2004.03.094 | Tissue-type plasminogen activator | 1 |
| 15149680 | 10.1016/j.bmcl.2004.03.094 | Plasminogen | 1 |
| 18163548 | 10.1021/jm701359z | Urokinase-type plasminogen activator | 1 |
| 26575094 | 10.1021/acs.jmedchem.5b01171 | Urokinase-type plasminogen activator | 1 |
Data from ChEMBL 36 via Core Engine