Compound Detail
CHEMBL182372
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Basic Information
| ChEMBL ID | CHEMBL182372 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GTKRLIZEWRYTIQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
4
PK Parameters
8
Publications
0
Known Names
Molecular Properties
353.3
MW (Da)
4.67
ALogP
1
HBA
2
HBD
49.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urokinase-type plasminogen activator CHEMBL3286 | Ki | 5.9 | 5.88 | 1258.9 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 618.2 | ng.hr.mL-1 | Rattus norvegicus |
| F | 32.0 | % | Rattus norvegicus |
| T1/2 | 3.3 | hr | Rattus norvegicus |
| Vd | 18.0 | 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 | Ki | = | 1258.93 | nM | 5.9 | Inhibition of urokinase | 19385614 |
| Urokinase-type plasminogen activator | Ki | = | 1370.0 | nM | 5.86 | Binding affinity value against urokinase plasminogen activator | 15582418 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15582418 | 10.1016/j.bmcl.2004.10.026 | ADMET | 5 |
| 15582418 | 10.1016/j.bmcl.2004.10.026 | Urokinase-type plasminogen activator | 1 |
| 15582418 | 10.1016/j.bmcl.2004.10.026 | Tissue-type plasminogen activator | 1 |
| 15582418 | 10.1016/j.bmcl.2004.10.026 | Unchecked | 1 |
| 15582418 | 10.1016/j.bmcl.2004.10.026 | Plasminogen | 1 |
| 15582418 | 10.1016/j.bmcl.2004.10.026 | Kallikrein-1 | 1 |
| 15582418 | 10.1016/j.bmcl.2004.10.026 | Trypsin | 1 |
| 19385614 | 10.1021/jm801444x | Urokinase-type plasminogen activator | 1 |
Data from ChEMBL 36 via Core Engine