Compound Detail
CHEMBL175497
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Basic Information
| ChEMBL ID | CHEMBL175497 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZEDMSBVBKUUZHF-LOACHALJSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
430.5
MW (Da)
1.03
ALogP
6
HBA
3
HBD
143.8
PSA (Ų)
0.25
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.85
Ki 1 meas. best 8.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine protease 1 CHEMBL3769 | Ki | 8.43 | 8.43 | 3.7 | 1 |
| Prothrombin CHEMBL204 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine protease 1 | Ki | = | 3.7 | nM | 8.43 | Binding affinity against bovine trypsin | 15771442 |
| Prothrombin | IC50 | = | 14000.0 | nM | 4.85 | Inhibitory concentration against human alpha thrombin | 15771442 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15771442 | 10.1021/jm0303857 | Prothrombin | 2 |
| 15771442 | 10.1021/jm0303857 | Serine protease 1 | 1 |
Data from ChEMBL 36 via Core Engine