Compound Detail
CHEMBL422844
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Basic Information
| ChEMBL ID | CHEMBL422844 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSNGAWQSZPNZQT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
483.4
MW (Da)
5.27
ALogP
5
HBA
2
HBD
92.3
PSA (Ų)
0.52
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 7.85 | 7.85 | 14.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 14.0 | nM | 7.85 | Inhibition constant against human factor Xa | 12565961 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12565961 | 10.1016/s0960-894x(02)00938-1 | Coagulation factor X | 1 |
| 12565961 | 10.1016/s0960-894x(02)00938-1 | Prothrombin | 1 |
| 12565961 | 10.1016/s0960-894x(02)00938-1 | Trypsin | 1 |
Data from ChEMBL 36 via Core Engine