Compound Detail
CHEMBL4285028
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Basic Information
| ChEMBL ID | CHEMBL4285028 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CVNXUNVHFJANHX-HXUWFJFHSA-N |
6
Targets
6
Activities
1
Assay Types
6
PK Parameters
5
Publications
0
Known Names
Molecular Properties
428.4
MW (Da)
4.83
ALogP
5
HBA
2
HBD
94.7
PSA (Ų)
0.53
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urokinase-type plasminogen activator CHEMBL3286 | IC50 | 7.1 | 7.1 | 79.0 | 1 |
| Urokinase-type plasminogen activator CHEMBL1075311 | IC50 | 6.39 | 6.39 | 410.0 | 1 |
| Tissue-type plasminogen activator CHEMBL3259492 | IC50 | 6.04 | 6.04 | 910.0 | 1 |
| Plasminogen CHEMBL1801 | IC50 | 5.88 | 5.88 | 1330.0 | 1 |
| Plasminogen CHEMBL1075299 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| Tissue-type plasminogen activator CHEMBL1873 | IC50 | 5.8 | 5.8 | 1580.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 13200000000.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 4.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 12370460274.48 | nM | Rattus norvegicus |
| F | 30.0 | % | Rattus norvegicus |
| T1/2 | 2.2 | hr | Rattus norvegicus |
| Vd | 0.6 | L.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urokinase-type plasminogen activator | IC50 | = | 79.0 | nM | 7.1 | Inhibition of human uPA | 30201291 |
| Urokinase-type plasminogen activator | IC50 | = | 410.0 | nM | 6.39 | Inhibition of mouse uPA | 30201291 |
| Tissue-type plasminogen activator | IC50 | = | 910.0 | nM | 6.04 | Inhibition of mouse tPA | 30201291 |
| Plasminogen | IC50 | = | 1330.0 | nM | 5.88 | Inhibition of human plasmin | 30201291 |
| Tissue-type plasminogen activator | IC50 | = | 1580.0 | nM | 5.8 | Inhibition of human tPA | 30201291 |
| Plasminogen | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of mouse plasmin | 30201291 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30201291 | 10.1016/j.bmcl.2018.09.001 | Rattus norvegicus | 6 |
| 30201291 | 10.1016/j.bmcl.2018.09.001 | Mus musculus | 3 |
| 30201291 | 10.1016/j.bmcl.2018.09.001 | Urokinase-type plasminogen activator | 2 |
| 30201291 | 10.1016/j.bmcl.2018.09.001 | Tissue-type plasminogen activator | 2 |
| 30201291 | 10.1016/j.bmcl.2018.09.001 | Plasminogen | 2 |
Data from ChEMBL 36 via Core Engine