Compound Detail
CHEMBL354996
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Basic Information
| ChEMBL ID | CHEMBL354996 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UBDHHNYVNUTFEY-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
421.9
MW (Da)
2.59
ALogP
6
HBA
2
HBD
104.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 8.0 | 7.69 | 10.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 10.0 | nM | 8.0 | Inhibition of Coagulation factor Xa | 11958994 |
| Coagulation factor X | Ki | = | 42.0 | nM | 7.38 | Tested for inhibitory activity against Coagulation factor Xa | 11958994 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11958994 | 10.1016/s0960-894x(02)00056-2 | Coagulation factor X | 2 |
| 11958994 | 10.1016/s0960-894x(02)00056-2 | Prothrombin | 1 |
| 11958994 | 10.1016/s0960-894x(02)00056-2 | Serine protease 1 | 1 |
| 11958994 | 10.1016/s0960-894x(02)00056-2 | Vitamin K-dependent protein C | 1 |
| 11958994 | 10.1016/s0960-894x(02)00056-2 | Plasminogen | 1 |
| 11958994 | 10.1016/s0960-894x(02)00056-2 | Tissue-type plasminogen activator | 1 |
Data from ChEMBL 36 via Core Engine