Compound Detail
CHEMBL319217
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Basic Information
| ChEMBL ID | CHEMBL319217 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KJCLPXFGPVCAKL-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
345.4
MW (Da)
3.10
ALogP
5
HBA
2
HBD
79.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL3478 | IC50 | 7.34 | 7.34 | 46.0 | 1 |
| Phosphodiesterase 3 CHEMBL2094125 | IC50 | 7.33 | 7.33 | 47.0 | 1 |
| Phosphodiesterase 3B CHEMBL5129 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 46.0 | nM | 7.34 | Inhibition of bovine arterial Phosphodiesterase 5 | 8568820 |
| Phosphodiesterase 3 | IC50 | = | 47.0 | nM | 7.33 | Inhibition of canine heart Phosphodiesterase 3 | 8568820 |
| Phosphodiesterase 3B | IC50 | = | 50.0 | nM | 7.3 | Inhibition of bovine arterial Phosphodiesterase 3 | 8568820 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8568820 | 10.1021/jm950197j | Phosphodiesterase 3 | 1 |
| 8568820 | 10.1021/jm950197j | Phosphodiesterase 3B | 1 |
| 8568820 | 10.1021/jm950197j | Unchecked | 1 |
| 8568820 | 10.1021/jm950197j | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine