Compound Detail
CHEMBL139970
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 | CHEMBL139970 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYRMEAOJLGMWNK-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
433.5
MW (Da)
2.52
ALogP
6
HBA
3
HBD
144.9
PSA (Ų)
0.24
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 6.62 | 6.62 | 240.0 | 1 |
| Serine protease 1 CHEMBL209 | Ki | 6.52 | 6.52 | 300.0 | 1 |
| Prothrombin CHEMBL204 | Ki | 5.55 | 5.55 | 2800.0 | 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 | Binding affinity against human coagulation factor X | 11087565 |
| Serine protease 1 | Ki | = | 300.0 | nM | 6.52 | Binding affinity against human trypsin | 11087565 |
| Prothrombin | Ki | = | 2800.0 | nM | 5.55 | Binding affinity against human thrombin | 11087565 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11087565 | 10.1021/jm000113t | Coagulation factor X | 1 |
| 11087565 | 10.1021/jm000113t | Prothrombin | 1 |
| 11087565 | 10.1021/jm000113t | Serine protease 1 | 1 |
Data from ChEMBL 36 via Core Engine