Compound Detail
CHEMBL423770
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
CC(C)OC(=O)C(Cc1cccc(C(N)N)c1)NC(=O)CNS(=O)(=O)c1ccc2ccccc2c1
Basic Information
| ChEMBL ID | CHEMBL423770 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VDRBTDAIOSZVMK-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
498.6
MW (Da)
1.71
ALogP
7
HBA
4
HBD
153.6
PSA (Ų)
0.25
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL3656 | Ki | 6.62 | 6.62 | 240.0 | 1 |
| Prothrombin CHEMBL4471 | Ki | 5.92 | 5.92 | 1200.0 | 1 |
| Serine protease 1 CHEMBL3769 | Ki | 5.43 | 5.43 | 3700.0 | 1 |
| Tissue-type plasminogen activator CHEMBL1873 | Ki | 4.48 | 4.48 | 33000.0 | 1 |
| Urokinase-type plasminogen activator CHEMBL3286 | Ki | 4.31 | 4.31 | 49000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 240.0 | nM | 6.62 | Inhibitory activity against bovine coagulation factor X expressed as dissociatio... | 9876114 |
| Prothrombin | Ki | = | 1200.0 | nM | 5.92 | Inhibitory activity against bovine thrombin expressed as dissociation constant | 9876114 |
| Serine protease 1 | Ki | = | 3700.0 | nM | 5.43 | Inhibitory activity against bovine trypsin expressed as dissociation constant | 9876114 |
| Tissue-type plasminogen activator | Ki | = | 33000.0 | nM | 4.48 | Inhibitory activity against human tissue-type plasminogen activator expressed as... | 9876114 |
| Urokinase-type plasminogen activator | Ki | = | 49000.0 | nM | 4.31 | Inhibitory activity against human urokinase plasminogen activator expressed as d... | 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