Compound Detail
CHEMBL29546
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Basic Information
| ChEMBL ID | CHEMBL29546 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QZPKJKXCLBIPCC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
342.4
MW (Da)
3.63
ALogP
6
HBA
0
HBD
61.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| Phosphodiesterase 4 CHEMBL2094267 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
| Phosphodiesterase 3 CHEMBL2094125 | IC50 | 5.23 | 5.23 | 5900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 900.0 | nM | 6.05 | Inhibition of guinea pig ventricular Phosphodiesterase 4 | 9154964 |
| Phosphodiesterase 4 | IC50 | = | 1800.0 | nM | 5.75 | Displacement of [3H]rolipram from rat brain membranes | 9154964 |
| Phosphodiesterase 3 | IC50 | = | 5900.0 | nM | 5.23 | Inhibition of guinea pig ventricular Phosphodiesterase 3 | 9154964 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9154964 | 10.1021/jm970105l | Phosphodiesterase 4 | 3 |
| 9154964 | 10.1021/jm970105l | Phosphodiesterase 3 | 1 |
Data from ChEMBL 36 via Core Engine