Compound Detail
CHEMBL252454
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
Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Cc3ccc(-n4ccccc4=O)cc3F)cc12
Basic Information
| ChEMBL ID | CHEMBL252454 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BEEPJZYIKKHTQJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
497.4
MW (Da)
4.33
ALogP
8
HBA
1
HBD
108.9
PSA (Ų)
0.29
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 10.48 | 10.48 | 0.0 | 1 |
| Prothrombin CHEMBL204 | Ki | 6.46 | 6.46 | 349.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 0.033 | nM | 10.48 | Inhibition of human factor 10a | 18054227 |
| Prothrombin | Ki | = | 349.0 | nM | 6.46 | Inhibition of human thrombin | 18054227 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18054227 | 10.1016/j.bmcl.2007.11.040 | Coagulation factor X | 1 |
| 18054227 | 10.1016/j.bmcl.2007.11.040 | Trypsin | 1 |
| 18054227 | 10.1016/j.bmcl.2007.11.040 | Plasma | 1 |
| 18054227 | 10.1016/j.bmcl.2007.11.040 | Prothrombin | 1 |
| 18054227 | 10.1016/j.bmcl.2007.11.040 | Caco-2 | 1 |
Data from ChEMBL 36 via Core Engine