Compound Detail
CHEMBL246323
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CS(=O)(=O)c1ccccc1[C@H]1CC[C@H](NC(=O)c2cc(C(F)(F)F)nn2-c2cccc(CN)c2)CC1
Basic Information
| ChEMBL ID | CHEMBL246323 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WWXSXVGKOQSOQE-IYARVYRRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
520.6
MW (Da)
4.21
ALogP
6
HBA
2
HBD
107.1
PSA (Ų)
0.51
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 8.24 | 8.24 | 5.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 5.7 | nM | 8.24 | Inhibition of human factor 10a | 17174550 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17174550 | 10.1016/j.bmcl.2006.11.071 | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine