Compound Detail
CHEMBL50091
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NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(c3cccc(C(F)(F)F)c3)=NO2)cc1
Basic Information
| ChEMBL ID | CHEMBL50091 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PPJMRHGWBDKEIS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
489.5
MW (Da)
4.15
ALogP
5
HBA
2
HBD
110.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 4.77 | 4.77 | 17000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 17000.0 | nM | 4.77 | Binding affinity against the Factor Xa (FXa) | 12729667 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12729667 | 10.1016/s0960-894x(03)00130-6 | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine