Compound Detail
CHEMBL1202108
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(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)NC(CCCN=C(N)N)B(O)O.O=C(O)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL1202108 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OLHCAALSCZGZGY-CEYVOKQTSA-N |
| Parent Compound | CHEMBL330306 |
| Active Moiety | CHEMBL330306 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
460.3
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 10.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 10.4 | 10.4 | 0.0 | 1 |
| Prothrombin CHEMBL204 | Ki | 10.35 | 10.35 | 0.0 | 1 |
| Serine protease 1 CHEMBL209 | Ki | 7.26 | 7.26 | 55.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 0.04 | nM | 10.4 | Binding affinity to purified human coagulation factor Xa (FXa) | 10425086 |
| Prothrombin | Ki | = | 0.045 | nM | 10.35 | The binding affinity towards thrombin obtained from human purified enzymes. | 10425086 |
| Serine protease 1 | Ki | = | 55.0 | nM | 7.26 | The binding affinity was measured on trypsin obtained from Human purified enzyme... | 10425086 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10425086 | 10.1021/jm980405i | Coagulation factor X | 1 |
| 10425086 | 10.1021/jm980405i | Prothrombin | 1 |
| 10425086 | 10.1021/jm980405i | Serine protease 1 | 1 |
Data from ChEMBL 36 via Core Engine