Compound Detail
CHEMBL138813
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Basic Information
| ChEMBL ID | CHEMBL138813 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMYOKOORJXDYLZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
466.9
MW (Da)
4.40
ALogP
5
HBA
2
HBD
107.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 7.43 | 7.43 | 37.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 37.0 | nM | 7.43 | Inhibitory activity against Coagulation factor X (FXa) | 14521405 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14521405 | 10.1021/jm020578e | Coagulation factor X | 1 |
| 14521405 | 10.1021/jm020578e | Prothrombin | 1 |
| 14521405 | 10.1021/jm020578e | Trypsin | 1 |
Data from ChEMBL 36 via Core Engine