Compound Detail
CHEMBL5425457
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Basic Information
| ChEMBL ID | CHEMBL5425457 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GPUPPHWIRAOZNM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
387.4
MW (Da)
3.80
ALogP
6
HBA
0
HBD
63.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | IC50 | 6.17 | 6.17 | 680.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.88 | 4.88 | 13200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | IC50 | = | 680.0 | nM | 6.17 | Inhibition of human thrombin using S-2238 as chromogenic substrate preincubated ... | 36462436 |
| Unchecked | IC50 | = | 13200.0 | nM | 4.88 | Inhibition of bovine trypsin using S-2765 as chromogenic substrate preincubated ... | 36462436 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36462436 | 10.1016/j.ejmech.2022.114855 | Prothrombin | 1 |
| 36462436 | 10.1016/j.ejmech.2022.114855 | Coagulation factor X | 1 |
| 36462436 | 10.1016/j.ejmech.2022.114855 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine