Compound Detail
CHEMBL253825
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Basic Information
| ChEMBL ID | CHEMBL253825 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CKBBGCJYKCLKHE-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
4
PK Parameters
4
Publications
0
Known Names
Molecular Properties
446.0
MW (Da)
4.94
ALogP
5
HBA
2
HBD
76.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urokinase-type plasminogen activator CHEMBL3286 | IC50 | 7.14 | 7.14 | 72.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 43.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 60.0 | % | Rattus norvegicus |
| T1/2 | 7.5 | hr | Rattus norvegicus |
| Vd | 27.0 | 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 | IC50 | = | 72.0 | nM | 7.14 | Inhibition of uPA | 18163548 |
| Urokinase-type plasminogen activator | IC50 | = | 72.0 | nM | 7.14 | Inhibition of uPA | 18457385 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18163548 | 10.1021/jm701359z | Rattus norvegicus | 4 |
| 18163548 | 10.1021/jm701359z | Urokinase-type plasminogen activator | 1 |
| 18163548 | 10.1021/jm701359z | No relevant target | 1 |
| 18457385 | 10.1021/jm8000373 | Urokinase-type plasminogen activator | 1 |
Data from ChEMBL 36 via Core Engine