Compound Detail
CHEMBL321944
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL321944 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQUXAFOLFXHVQN-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
1.80
ALogP
6
HBA
2
HBD
111.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urokinase-type plasminogen activator CHEMBL3286 | Ki | 6.2 | 6.2 | 630.0 | 2 |
| Serine protease 1 CHEMBL209 | Ki | 5.57 | 5.57 | 2700.0 | 1 |
| Prothrombin CHEMBL204 | Ki | 5.15 | 5.15 | 7100.0 | 1 |
| Plasminogen CHEMBL1801 | Ki | 5.07 | 5.07 | 8500.0 | 1 |
| Kallikrein-1 CHEMBL2319 | Ki | 4.85 | 4.85 | 14000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urokinase-type plasminogen activator | Ki | = | 630.0 | nM | 6.2 | Binding affinity towards Urokinase-type plasminogen activator (urokinase) | 15149645 |
| Urokinase-type plasminogen activator | Ki | = | 630.96 | nM | 6.2 | Inhibition of urokinase | 19385614 |
| Serine protease 1 | Ki | = | 2700.0 | nM | 5.57 | Binding affinity against trypsin | 15149645 |
| Prothrombin | Ki | = | 7100.0 | nM | 5.15 | Binding affinity against thrombin | 15149645 |
| Plasminogen | Ki | = | 8500.0 | nM | 5.07 | Binding affinity against plasmin | 15149645 |
| Kallikrein-1 | Ki | = | 14000.0 | nM | 4.85 | Binding affinity towards P-kallikrein | 15149645 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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