Compound Detail
CHEMBL280162
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Basic Information
| ChEMBL ID | CHEMBL280162 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BALUOYUEXRRYDQ-ZQRQZVKFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
421.5
MW (Da)
3.35
ALogP
6
HBA
3
HBD
110.6
PSA (Ų)
0.29
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Prothrombin CHEMBL204 | IC50 | 4.68 | 4.68 | 21000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | IC50 | = | 1000.0 | nM | 6.0 | In vitro evaluation for the concentration needed for inhibiting factor Xa by 50% | 8164262 |
| Prothrombin | IC50 | = | 21000.0 | nM | 4.68 | In vitro evaluation for the concentration needed for inhibiting thrombin by 50% | 8164262 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8164262 | 10.1021/jm00034a018 | Rattus norvegicus | 4 |
| 8164262 | 10.1021/jm00034a018 | ADMET | 1 |
| 8164262 | 10.1021/jm00034a018 | Coagulation factor X | 1 |
| 8164262 | 10.1021/jm00034a018 | Prothrombin | 1 |
Data from ChEMBL 36 via Core Engine