Compound Detail
CHEMBL408044
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COC(=O)CN(C1CCCN(c2ccc(-c3ccccc3S(C)(=O)=O)cc2F)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Basic Information
| ChEMBL ID | CHEMBL408044 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VTZRFKXPLDMBKO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
659.2
MW (Da)
5.06
ALogP
7
HBA
0
HBD
118.1
PSA (Ų)
0.24
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 9.06 | 9.06 | 0.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 0.88 | nM | 9.06 | Inhibition of human factor 10a | 18329876 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18329876 | 10.1016/j.bmcl.2008.02.054 | Unchecked | 2 |
| 18329876 | 10.1016/j.bmcl.2008.02.054 | Coagulation factor X | 1 |
| 18329876 | 10.1016/j.bmcl.2008.02.054 | Plasma | 1 |
Data from ChEMBL 36 via Core Engine