Compound Detail
CHEMBL31580
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Basic Information
| ChEMBL ID | CHEMBL31580 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MNVCNERGJZWWAO-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
270.3
MW (Da)
1.61
ALogP
4
HBA
1
HBD
47.9
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 6.48
IC50 1 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 3 CHEMBL2094125 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
| Rattus norvegicus CHEMBL376 | EC50 | 6.48 | 5.95 | 330.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 3 | IC50 | = | 150.0 | nM | 6.82 | Inhibition of platelet cAMP phosphodiesterase | 2846839 |
| Rattus norvegicus | EC50 | = | 330.0 | nM | 6.48 | In vitro inhibition of blood platelet aggregation (collagen) in rats | 4045917 |
| Rattus norvegicus | EC50 | = | 3800.0 | nM | 5.42 | In vitro inhibition of blood platelet aggregation (ADP) in rats | 4045917 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 4045917 | 10.1021/jm00148a003 | Rattus norvegicus | 18 |
| 2846839 | 10.1021/jm00119a014 | Phosphodiesterase 3 | 1 |
Data from ChEMBL 36 via Core Engine