Compound Detail
CHEMBL252649
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COc1ccc(-n2nc(C(F)(F)F)cc2C(=O)Cc2ccc(-c3ccccc3S(N)(=O)=O)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL252649 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PXUONXFJABOVSQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
515.5
MW (Da)
4.64
ALogP
6
HBA
1
HBD
104.3
PSA (Ų)
0.36
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 12.0 | nM | 7.92 | Inhibition of human factor 10a | 18054227 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18054227 | 10.1016/j.bmcl.2007.11.040 | Plasma | 2 |
| 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 | Prothrombin | 1 |
Data from ChEMBL 36 via Core Engine