Compound Detail
CHEMBL271366
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CCOC(=O)CN(C(=O)CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1)C1CCN(c2ccncc2)CC1
Basic Information
| ChEMBL ID | CHEMBL271366 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PNXHHBOOJOYZML-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
544.1
MW (Da)
4.11
ALogP
7
HBA
0
HBD
96.9
PSA (Ų)
0.37
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | IC50 | = | 60.0 | nM | 7.22 | Inhibition of human factor 10a | 18077174 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18077174 | 10.1016/j.bmc.2007.11.073 | Plasma | 2 |
| 18077174 | 10.1016/j.bmc.2007.11.073 | Coagulation factor X | 1 |
| 18077174 | 10.1016/j.bmc.2007.11.073 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine