Compound Detail
CHEMBL153412
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
COC(=O)C1CCCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)C1
Basic Information
| ChEMBL ID | CHEMBL153412 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKNAAPVJEPGURT-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
522.6
MW (Da)
2.43
ALogP
6
HBA
3
HBD
142.7
PSA (Ų)
0.24
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL4471 | Ki | 6.82 | 6.82 | 150.0 | 1 |
| Serine protease 1 CHEMBL3769 | Ki | 6.41 | 6.41 | 390.0 | 1 |
| Coagulation factor X CHEMBL3656 | Ki | 4.75 | 4.75 | 18000.0 | 1 |
| Urokinase-type plasminogen activator CHEMBL3286 | Ki | 4.58 | 4.58 | 26000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 150.0 | nM | 6.82 | Inhibitory activity against bovine thrombin expressed as dissociation constant | 9876114 |
| Serine protease 1 | Ki | = | 390.0 | nM | 6.41 | Inhibitory activity against bovine trypsin expressed as dissociation constant | 9876114 |
| Coagulation factor X | Ki | = | 18000.0 | nM | 4.75 | Inhibitory activity against bovine coagulation factor X expressed as dissociatio... | 9876114 |
| Urokinase-type plasminogen activator | Ki | = | 26000.0 | nM | 4.58 | 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 | Urokinase-type plasminogen activator | 1 |
Data from ChEMBL 36 via Core Engine