Compound Detail
CHEMBL3392116
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CC(C)NCC(=O)N=S(C)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1
Basic Information
| ChEMBL ID | CHEMBL3392116 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YQLKDVGVUIYRDQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
562.5
MW (Da)
4.87
ALogP
6
HBA
3
HBD
129.6
PSA (Ų)
0.36
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | IC50 | = | 4.0 | nM | 8.4 | Inhibition of human F10a using S-2765 as substrate after 45 mins | 23124211 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23124211 | 10.1016/j.ejmech.2012.10.005 | Coagulation factor X | 2 |
| 23124211 | 10.1016/j.ejmech.2012.10.005 | Plasma | 2 |
| 23124211 | 10.1016/j.ejmech.2012.10.005 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine