Compound Detail
CHEMBL142924
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 | CHEMBL142924 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DYVVYNBTJZDSBC-IBGZPJMESA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
411.5
MW (Da)
2.19
ALogP
5
HBA
3
HBD
122.3
PSA (Ų)
0.31
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL4471 | Ki | 6.55 | 6.55 | 279.9 | 1 |
| Coagulation factor X CHEMBL244 | Ki | 5.6 | 5.6 | 2511.9 | 1 |
| Serine protease 1 CHEMBL3769 | Ki | 5.6 | 5.6 | 2511.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 279.9 | nM | 6.55 | Binding affinity towards thrombin | 9986717 |
| Serine protease 1 | Ki | = | 2511.89 | nM | 5.6 | Binding affinity towards trypsin | 9986717 |
| Coagulation factor X | Ki | = | 2511.89 | nM | 5.6 | Binding affinity towards Coagulation factor Xa | 9986717 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9986717 | 10.1021/jm981062r | Prothrombin | 1 |
| 9986717 | 10.1021/jm981062r | Serine protease 1 | 1 |
| 9986717 | 10.1021/jm981062r | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine