Compound Detail
CHEMBL442804
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Cc1c(S(=O)(=O)NC2CCCN(c3ccc(-c4ccccc4S(C)(=O)=O)cc3F)C2=O)sc2ccc(Cl)cc12
Basic Information
| ChEMBL ID | CHEMBL442804 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VWNBZZJKCBSQBK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
607.1
MW (Da)
5.55
ALogP
6
HBA
1
HBD
100.6
PSA (Ų)
0.31
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 6.8 | 6.8 | 160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 160.0 | nM | 6.8 | 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 |
Data from ChEMBL 36 via Core Engine