Compound Detail
CHEMBL457391
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Basic Information
| ChEMBL ID | CHEMBL457391 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GCHOSJGXMHKADP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
379.9
MW (Da)
3.27
ALogP
3
HBA
3
HBD
96.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 5.52 | 5.52 | 3000.0 | 1 |
| Trypsin CHEMBL2095204 | Ki | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 3000.0 | nM | 5.52 | Inhibition of human factor 10a by Dixon-plot method | 18667303 |
| Trypsin | Ki | = | 4000.0 | nM | 5.4 | Inhibition of human trypsin by Dixon-plot method | 18667303 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18667303 | 10.1016/j.bmcl.2008.07.009 | Coagulation factor X | 1 |
| 18667303 | 10.1016/j.bmcl.2008.07.009 | Prothrombin | 1 |
| 18667303 | 10.1016/j.bmcl.2008.07.009 | Trypsin | 1 |
Data from ChEMBL 36 via Core Engine