Compound Detail
CHEMBL428432
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CS(=O)(=O)Nc1ccc(NC(=O)c2ccc(N3CCCCC3=O)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1
Basic Information
| ChEMBL ID | CHEMBL428432 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCCDRASOIOEUOF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
542.0
MW (Da)
4.13
ALogP
6
HBA
3
HBD
137.6
PSA (Ų)
0.41
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 2.0 | nM | 8.7 | Inhibition of human factor 10a | 18424044 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18424044 | 10.1016/j.bmcl.2008.03.092 | Coagulation factor X | 1 |
| 18424044 | 10.1016/j.bmcl.2008.03.092 | Plasma | 1 |
Data from ChEMBL 36 via Core Engine