Compound Detail
CHEMBL146793
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COc1ccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccccc3S(C)(=O)=O)cc2F)cc1
Basic Information
| ChEMBL ID | CHEMBL146793 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VLCRCSZZKBAYJK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
533.5
MW (Da)
5.36
ALogP
6
HBA
1
HBD
90.3
PSA (Ų)
0.34
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 8.44 | 8.44 | 3.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 3.6 | nM | 8.44 | Tested in vitro for inhibition of human Coagulation factor X | 14640539 |
| Coagulation factor X | Ki | = | 3.6 | nM | 8.44 | Binding affinity to human f10a | 16682200 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14640539 | 10.1021/jm030212h | Coagulation factor X | 1 |
| 14640539 | 10.1021/jm030212h | Prothrombin | 1 |
| 14640539 | 10.1021/jm030212h | Serine protease 1 | 1 |
| 14640539 | 10.1021/jm030212h | NON-PROTEIN TARGET | 1 |
| 16682200 | 10.1016/j.bmcl.2006.04.044 | NON-PROTEIN TARGET | 1 |
| 16682200 | 10.1016/j.bmcl.2006.04.044 | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine