Compound Detail
CHEMBL3968842
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CO[C@H]1C[C@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C[C@@H]1NC(=O)c1ccc(Cl)s1
Basic Information
| ChEMBL ID | CHEMBL3968842 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTMBDSYSYGKVRA-BVGQSLNGSA-N |
2
Targets
14
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
490.0
MW (Da)
3.85
ALogP
6
HBA
2
HBD
89.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 12 meas. best 8.7
Kd 2 meas. best 8.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | IC50 | 8.7 | 8.5775 | 2.0 | 12 |
| Coagulation factor X CHEMBL244 | Kd | 8.56 | 8.56 | 2.8 | 1 |
| Coagulation factor X CHEMBL5062 | Kd | 7.63 | 7.63 | 23.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3885741 | Coagulation factor X | 18 |
Data from ChEMBL 36 via Core Engine