Compound Detail
CHEMBL19798
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Basic Information
| ChEMBL ID | CHEMBL19798 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KFRIMCWQVDNABD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
476.5
MW (Da)
0.71
ALogP
9
HBA
4
HBD
169.3
PSA (Ų)
0.26
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 8.23 | 8.23 | 5.9 | 1 |
| Coagulation factor X CHEMBL244 | Ki | 6.75 | 6.75 | 178.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 5.9 | nM | 8.23 | In vitro inhibitory constant against human thrombin (FIIa). | 11934589 |
| Coagulation factor X | Ki | = | 178.6 | nM | 6.75 | In vitro inhibitory constant against factor Xa (FXa) was tested | 11934589 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11934589 | 10.1016/s0960-894x(02)00129-4 | Prothrombin | 1 |
| 11934589 | 10.1016/s0960-894x(02)00129-4 | Coagulation factor X | 1 |
| 11934589 | 10.1016/s0960-894x(02)00129-4 | Serine protease 1 | 1 |
| 11934589 | 10.1016/s0960-894x(02)00129-4 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine