Compound Detail
CHEMBL253093
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CS(=O)(=O)c1ccccc1-c1ccc2c(c1)CCN2C(=O)C1CC(C(F)(F)F)=NN1c1ccc2onc(N)c2c1
Basic Information
| ChEMBL ID | CHEMBL253093 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKRACHJQVNYUOY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
569.6
MW (Da)
4.57
ALogP
8
HBA
1
HBD
122.1
PSA (Ų)
0.38
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 8.82 | 8.82 | 1.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 1.5 | nM | 8.82 | Inhibition of human factor 10a | 18054227 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18054227 | 10.1016/j.bmcl.2007.11.040 | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine