Compound Detail
CHEMBL545061
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Basic Information
| ChEMBL ID | CHEMBL545061 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXYLRTMBUUZNPS-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1193622 |
| Active Moiety | CHEMBL1193622 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
353.4
MW (Da)
2.76
ALogP
5
HBA
1
HBD
53.9
PSA (Ų)
0.92
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | EC50 | 5.66 | 5.52 | 2200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | EC50 | = | 2200.0 | nM | 5.66 | In vitro inhibition of collagen-induced blood platelet aggregation | 7265124 |
| Rattus norvegicus | EC50 | = | 4200.0 | nM | 5.38 | In vitro inhibition of ADP-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