Compound Detail
CHEMBL171390
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Basic Information
| ChEMBL ID | CHEMBL171390 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BFSJARPMQDCRGO-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
396.5
MW (Da)
3.10
ALogP
3
HBA
3
HBD
103.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 6.68 | 6.68 | 210.0 | 1 |
| Serine protease 1 CHEMBL209 | Ki | 5.92 | 5.92 | 1200.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.48 | 5.48 | 3300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 210.0 | nM | 6.68 | Inhibition of Coagulation factor II | 10230612 |
| Serine protease 1 | Ki | = | 1200.0 | nM | 5.92 | Inhibitory activity against trypsin | 10230612 |
| Unchecked | Ki | = | 3300.0 | nM | 5.48 | Inhibition of factor Xa | 10230612 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10230612 | 10.1016/s0960-894x(99)00113-4 | Prothrombin | 1 |
| 10230612 | 10.1016/s0960-894x(99)00113-4 | Serine protease 1 | 1 |
| 10230612 | 10.1016/s0960-894x(99)00113-4 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine