Compound Detail
CHEMBL20825
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 | CHEMBL20825 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JEVDJZVOIXYJFV-HXUWFJFHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
389.5
MW (Da)
3.03
ALogP
4
HBA
3
HBD
105.3
PSA (Ų)
0.33
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 5.7 | 5.7 | 2000.0 | 1 |
| Serine protease 1 CHEMBL3769 | Ki | 4.9 | 4.9 | 12500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 2000.0 | nM | 5.7 | Inhibitory concentration against human Coagulation factor Xa (fXa) | 11881991 |
| Serine protease 1 | Ki | = | 12500.0 | nM | 4.9 | Inhibitory concentration against bovine trypsin | 11881991 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11881991 | 10.1021/jm010944e | Coagulation factor X | 1 |
| 11881991 | 10.1021/jm010944e | Serine protease 1 | 1 |
Data from ChEMBL 36 via Core Engine