Compound Detail
CHEMBL545296
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL545296 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AXCJPSYKTXBIKN-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1193827 |
| Active Moiety | CHEMBL1193827 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
338.4
MW (Da)
2.24
ALogP
5
HBA
1
HBD
47.9
PSA (Ų)
0.91
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | EC50 | 4.87 | 4.705 | 13500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | EC50 | = | 13500.0 | nM | 4.87 | In vitro inhibition of ADP-induced blood platelet aggregation | 7265124 |
| Rattus norvegicus | EC50 | = | 29000.0 | nM | 4.54 | In vitro inhibition of collagen-induced blood platelet aggregation | 7265124 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7265124 | 10.1021/jm00136a005 | Rattus norvegicus | 6 |
Data from ChEMBL 36 via Core Engine