Compound Detail
CHEMBL103043
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Basic Information
| ChEMBL ID | CHEMBL103043 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GRQLDCHTDNYVQI-UHFFFAOYSA-N |
6
Targets
8
Activities
1
Assay Types
1
PK Parameters
9
Publications
0
Known Names
Molecular Properties
263.3
MW (Da)
2.66
ALogP
4
HBA
3
HBD
87.7
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 8 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urokinase-type plasminogen activator CHEMBL3286 | Ki | 7.52 | 7.4933 | 30.0 | 3 |
| Kallikrein-1 CHEMBL2319 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| Serine protease 1 CHEMBL209 | Ki | 5.77 | 5.77 | 1700.0 | 1 |
| Prothrombin CHEMBL204 | Ki | 5.5 | 5.5 | 3200.0 | 1 |
| Plasminogen CHEMBL1801 | Ki | 5.42 | 5.42 | 3800.0 | 1 |
| Tissue-type plasminogen activator CHEMBL1873 | Ki | 4.62 | 4.62 | 24000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | - | % | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urokinase-type plasminogen activator | Ki | = | 30.0 | nM | 7.52 | Binding affinity towards Urokinase-type plasminogen activator | 15214773 |
| Urokinase-type plasminogen activator | Ki | = | 31.62 | nM | 7.5 | Inhibition of urokinase | 19385614 |
| Urokinase-type plasminogen activator | Ki | = | 35.0 | nM | 7.46 | Binding affinity towards Urokinase-type plasminogen activator (urokinase) | 15149645 |
| Kallikrein-1 | Ki | = | 1000.0 | nM | 6.0 | Binding affinity towards P-kallikrein | 15149645 |
| Serine protease 1 | Ki | = | 1700.0 | nM | 5.77 | Binding affinity against trypsin | 15149645 |
| Prothrombin | Ki | = | 3200.0 | nM | 5.5 | Binding affinity against thrombin | 15149645 |
| Plasminogen | Ki | = | 3800.0 | nM | 5.42 | Binding affinity against plasmin | 15149645 |
| Tissue-type plasminogen activator | Ki | = | 24000.0 | nM | 4.62 | Binding affinity towards tissue type plasminogen activator | 15149645 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15214773 | 10.1021/jm040031v | Urokinase-type plasminogen activator | 1 |
| 15214773 | 10.1021/jm040031v | ADMET | 1 |
| 15149645 | 10.1016/s0960-894x(04)00530-x | Urokinase-type plasminogen activator | 1 |
| 15149645 | 10.1016/s0960-894x(04)00530-x | Kallikrein-1 | 1 |
| 15149645 | 10.1016/s0960-894x(04)00530-x | Tissue-type plasminogen activator | 1 |
| 15149645 | 10.1016/s0960-894x(04)00530-x | Serine protease 1 | 1 |
| 15149645 | 10.1016/s0960-894x(04)00530-x | Plasminogen | 1 |
| 15149645 | 10.1016/s0960-894x(04)00530-x | Prothrombin | 1 |
| 19385614 | 10.1021/jm801444x | Urokinase-type plasminogen activator | 1 |
Data from ChEMBL 36 via Core Engine