Compound Detail
CHEMBL226564
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CCN(Cc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl)C1=NCCO1
Basic Information
| ChEMBL ID | CHEMBL226564 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FJRVGBKCMMRPKF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
582.9
MW (Da)
5.82
ALogP
8
HBA
2
HBD
105.2
PSA (Ų)
0.35
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 10.92 | 10.92 | 0.0 | 1 |
| Prothrombin CHEMBL204 | Ki | 6.33 | 6.33 | 470.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 0.012 | nM | 10.92 | Inhibition of human F10a | 17536795 |
| Prothrombin | Ki | = | 470.0 | nM | 6.33 | Inhibition of human F2a | 17536795 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17536795 | 10.1021/jm070125f | Coagulation factor X | 1 |
| 17536795 | 10.1021/jm070125f | Prothrombin | 1 |
| 17536795 | 10.1021/jm070125f | Plasma | 1 |
| 17536795 | 10.1021/jm070125f | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine