Compound Detail
CHEMBL31379
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Basic Information
| ChEMBL ID | CHEMBL31379 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSXMBGVPKSJTGI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
306.4
MW (Da)
2.26
ALogP
4
HBA
1
HBD
47.9
PSA (Ų)
0.95
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | EC50 | 4.58 | 4.58 | 26000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | EC50 | = | 26000.0 | nM | 4.58 | In vitro inhibition of blood platelet aggregation (ADP) in rats | 4045917 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 4045917 | 10.1021/jm00148a003 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine