Compound Detail
CHEMBL1945669
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Basic Information
| ChEMBL ID | CHEMBL1945669 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSHLGVDTUBOIPH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
424.5
MW (Da)
4.64
ALogP
4
HBA
2
HBD
98.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urokinase-type plasminogen activator CHEMBL3286 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
| Tissue-type plasminogen activator CHEMBL1873 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urokinase-type plasminogen activator | IC50 | = | 3600.0 | nM | 5.44 | Inhibition of human uPA using pyroGlu-Gly-Arg-p-NA.HCl as substrate preincubated... | 22285569 |
| Tissue-type plasminogen activator | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of recombinant tPA using H-D-Ile-Pro-Arg-pNA.2HCl as substrate preinc... | 22285569 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22285569 | 10.1016/j.bmc.2011.12.040 | 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