Compound Detail
CHEMBL351298
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Basic Information
| ChEMBL ID | CHEMBL351298 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PRMSFVUWLBPPLY-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
463.0
MW (Da)
2.87
ALogP
5
HBA
2
HBD
107.6
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 8.4 | 8.075 | 4.0 | 2 |
| Unchecked CHEMBL612545 | Ki | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 4.0 | nM | 8.4 | Inhibition of factor 10a | 20503967 |
| Coagulation factor X | Ki | = | 18.0 | nM | 7.75 | Binding affinity of compound toward human Coagulation factor X was evaluated | 12593649 |
| Unchecked | Ki | = | 1200.0 | nM | 5.92 | Inhibition of trypsin | 20503967 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12593649 | 10.1021/jm0203837 | Coagulation factor X | 1 |
| 12593649 | 10.1021/jm0203837 | Serine protease 1 | 1 |
| 12593649 | 10.1021/jm0203837 | Prothrombin | 1 |
| 20503967 | 10.1021/jm100146h | Coagulation factor X | 1 |
| 20503967 | 10.1021/jm100146h | Prothrombin | 1 |
| 20503967 | 10.1021/jm100146h | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine