Compound Detail
CHEMBL595475
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CS(=O)(=O)c1ccccc1-c1ccc(N2CC[C@H](NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)c(F)c1
Basic Information
| ChEMBL ID | CHEMBL595475 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GFNBLRVHGQFIQU-BPOBUFBUSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
555.1
MW (Da)
4.31
ALogP
6
HBA
1
HBD
100.6
PSA (Ų)
0.47
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 9.7 | 9.7 | 0.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 0.2 | nM | 9.7 | Inhibition of human factor 10a by fluorescence assay | 20006499 |
| Coagulation factor X | Ki | = | 0.2 | nM | 9.7 | Inhibition of factor 10a | 20503967 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20006499 | 10.1016/j.bmcl.2009.11.077 | Plasma | 1 |
| 20006499 | 10.1016/j.bmcl.2009.11.077 | Coagulation factor X | 1 |
| 20503967 | 10.1021/jm100146h | Coagulation factor X | 1 |
| 20503967 | 10.1021/jm100146h | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine