Compound Detail
CHEMBL50961
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Basic Information
| ChEMBL ID | CHEMBL50961 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PWTAVJTYNIFGIS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
-0.04
ALogP
7
HBA
5
HBD
172.6
PSA (Ų)
0.37
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 6.72 | 6.72 | 190.0 | 1 |
| Serine protease 1 CHEMBL3769 | Ki | 6.12 | 6.12 | 760.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 190.0 | nM | 6.72 | Compound was tested for inhibition activity against Coagulation factor X | 10346927 |
| Serine protease 1 | Ki | = | 760.0 | nM | 6.12 | Compound was tested for inhibition activity against bovine trypsin. | 10346927 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10346927 | 10.1021/jm980667k | Coagulation factor X | 1 |
| 10346927 | 10.1021/jm980667k | Prothrombin | 1 |
| 10346927 | 10.1021/jm980667k | Serine protease 1 | 1 |
Data from ChEMBL 36 via Core Engine