Compound Detail
CHEMBL4288828
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CC(C)(C)[C@@H](Oc1nc(Oc2cc(C#N)cc(-c3cccc(CN)c3)c2)c(F)cc1F)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL4288828 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DHNSSLWQKFPHRR-NRFANRHFSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
467.5
MW (Da)
5.03
ALogP
6
HBA
2
HBD
118.5
PSA (Ų)
0.50
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urokinase-type plasminogen activator CHEMBL3286 | IC50 | 7.47 | 7.47 | 34.0 | 1 |
| Plasminogen CHEMBL1801 | IC50 | 5.27 | 5.27 | 5400.0 | 1 |
| Tissue-type plasminogen activator CHEMBL1873 | IC50 | 5.24 | 5.24 | 5700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urokinase-type plasminogen activator | IC50 | = | 34.0 | nM | 7.47 | Inhibition of human uPA | 30201291 |
| Plasminogen | IC50 | = | 5400.0 | nM | 5.27 | Inhibition of human plasmin | 30201291 |
| Tissue-type plasminogen activator | IC50 | = | 5700.0 | nM | 5.24 | Inhibition of human tPA | 30201291 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30201291 | 10.1016/j.bmcl.2018.09.001 | Urokinase-type plasminogen activator | 1 |
| 30201291 | 10.1016/j.bmcl.2018.09.001 | Tissue-type plasminogen activator | 1 |
| 30201291 | 10.1016/j.bmcl.2018.09.001 | Plasminogen | 1 |
Data from ChEMBL 36 via Core Engine