Compound Detail
CHEMBL366647
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CCOC(=O)C1CCN(Cc2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL366647 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YDDUXXXBYNOVBK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
555.5
MW (Da)
5.67
ALogP
6
HBA
2
HBD
100.6
PSA (Ų)
0.35
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | IC50 | 6.77 | 6.77 | 171.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | IC50 | = | 171.0 | nM | 6.77 | In vitro inhibitory activity against coagulation factor X. | 15013007 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15013007 | 10.1016/j.bmcl.2003.11.080 | Coagulation factor X | 1 |
| 15013007 | 10.1016/j.bmcl.2003.11.080 | Prothrombin | 1 |
| 15013007 | 10.1016/j.bmcl.2003.11.080 | Tissue-type plasminogen activator | 1 |
| 15013007 | 10.1016/j.bmcl.2003.11.080 | Serine protease 1 | 1 |
| 15013007 | 10.1016/j.bmcl.2003.11.080 | Vitamin K-dependent protein C | 1 |
| 15013007 | 10.1016/j.bmcl.2003.11.080 | Plasminogen | 1 |
Data from ChEMBL 36 via Core Engine