Compound Detail
CHEMBL257268
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CCOC(=O)N1CCC(NC(=O)c2nc3c(s2)CN(C)CC3)C(NC(=O)c2cc3cc(Cl)ccc3[nH]2)C1
Basic Information
| ChEMBL ID | CHEMBL257268 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZNORATXAANZCLG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
545.1
MW (Da)
3.02
ALogP
7
HBA
3
HBD
119.7
PSA (Ų)
0.45
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | IC50 | = | 110.0 | nM | 6.96 | Inhibition of human factor 10a | 18039572 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18039572 | 10.1016/j.bmcl.2007.11.037 | No relevant target | 1 |
| 18039572 | 10.1016/j.bmcl.2007.11.037 | Coagulation factor X | 1 |
| 18039572 | 10.1016/j.bmcl.2007.11.037 | Plasma | 1 |
Data from ChEMBL 36 via Core Engine