Compound Detail
CHEMBL31722
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Basic Information
| ChEMBL ID | CHEMBL31722 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FDJCDKITYBTCDP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
306.8
MW (Da)
1.11
ALogP
5
HBA
1
HBD
57.2
PSA (Ų)
0.84
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | EC50 | 7.0 | 6.72 | 100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | EC50 | = | 100.0 | nM | 7.0 | In vitro inhibition of blood platelet aggregation (collagen) in rats | 4045917 |
| Rattus norvegicus | EC50 | = | 360.0 | nM | 6.44 | In vitro inhibition of blood platelet aggregation (ADP) in rats | 4045917 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 4045917 | 10.1021/jm00148a003 | Rattus norvegicus | 4 |
Data from ChEMBL 36 via Core Engine