Compound Detail
CHEMBL356007
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CCOC(=O)N1CCN(C(=O)C(Cc2cccc(C(N)N)c2)NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC1
Basic Information
| ChEMBL ID | CHEMBL356007 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AJKIEWKQNYUUAZ-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
615.8
MW (Da)
4.16
ALogP
7
HBA
3
HBD
148.1
PSA (Ų)
0.32
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine protease 1 CHEMBL3769 | Ki | 7.43 | 7.43 | 37.0 | 1 |
| Urokinase-type plasminogen activator CHEMBL3286 | Ki | 6.39 | 6.39 | 410.0 | 1 |
| Prothrombin CHEMBL4471 | Ki | 6.31 | 6.31 | 490.0 | 1 |
| Tissue-type plasminogen activator CHEMBL1873 | Ki | 6.24 | 6.24 | 570.0 | 1 |
| Coagulation factor X CHEMBL3656 | Ki | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine protease 1 | Ki | = | 37.0 | nM | 7.43 | Inhibitory activity against bovine trypsin expressed as dissociation constant | 9876114 |
| Urokinase-type plasminogen activator | Ki | = | 410.0 | nM | 6.39 | Inhibitory activity against human urokinase plasminogen activator expressed as d... | 9876114 |
| Prothrombin | Ki | = | 490.0 | nM | 6.31 | Inhibitory activity against bovine thrombin expressed as dissociation constant | 9876114 |
| Tissue-type plasminogen activator | Ki | = | 570.0 | nM | 6.24 | Inhibitory activity against human tissue-type plasminogen activator expressed as... | 9876114 |
| Coagulation factor X | Ki | = | 1700.0 | nM | 5.77 | Inhibitory activity against bovine coagulation factor X expressed as dissociatio... | 9876114 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9876114 | 10.1021/jm981068g | Serine protease 1 | 1 |
| 9876114 | 10.1021/jm981068g | Coagulation factor X | 1 |
| 9876114 | 10.1021/jm981068g | Prothrombin | 1 |
| 9876114 | 10.1021/jm981068g | Tissue-type plasminogen activator | 1 |
| 9876114 | 10.1021/jm981068g | Urokinase-type plasminogen activator | 1 |
Data from ChEMBL 36 via Core Engine