Compound Detail
CHEMBL442766
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Basic Information
| ChEMBL ID | CHEMBL442766 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VZOGQJOJGLRGLO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
476.5
MW (Da)
1.95
ALogP
10
HBA
3
HBD
184.9
PSA (Ų)
0.34
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 9.01 | 9.01 | 1.0 | 1 |
| Prothrombin CHEMBL204 | Ki | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 0.98 | nM | 9.01 | Inhibition of human purified factor Xa | 12565931 |
| Prothrombin | Ki | = | 1500.0 | nM | 5.82 | Inhibitory constant against thrombin using human purified enzymes | 12565931 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12565931 | 10.1016/s0960-894x(02)00951-4 | Coagulation factor X | 1 |
| 12565931 | 10.1016/s0960-894x(02)00951-4 | Prothrombin | 1 |
| 12565931 | 10.1016/s0960-894x(02)00951-4 | Serine protease 1 | 1 |
Data from ChEMBL 36 via Core Engine