Compound Detail
CHEMBL414613
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Basic Information
| ChEMBL ID | CHEMBL414613 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | COLQUUDNEIJASV-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
348.8
MW (Da)
3.56
ALogP
5
HBA
0
HBD
60.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2094267 | IC50 | 8.32 | 8.32 | 4.8 | 2 |
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 7.25 | 7.25 | 56.0 | 2 |
| Phosphodiesterase 3 CHEMBL2094125 | IC50 | 5.29 | 5.29 | 5100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 4.8 | nM | 8.32 | Affinity for the high affinity rolipram binding site of phosphodiesterase (PDE I... | 9767640 |
| Phosphodiesterase 4 | IC50 | = | 4.8 | nM | 8.32 | Displacement of [3H]rolipram from rat brain membranes | 9154964 |
| Phosphodiesterase 4 | IC50 | = | 56.0 | nM | 7.25 | Inhibitory activity against phosphodiesterase 4 isolated from guinea pig ventric... | 9767640 |
| Phosphodiesterase 4 | IC50 | = | 56.0 | nM | 7.25 | Inhibition of guinea pig ventricular Phosphodiesterase 4 | 9154964 |
| Phosphodiesterase 3 | IC50 | = | 5100.0 | nM | 5.29 | Inhibitory activity against cGMP inhibited Phosphodiesterase 3, isolated from gu... | 9767640 |
| Phosphodiesterase 3 | IC50 | = | 5100.0 | nM | 5.29 | Inhibition of guinea pig ventricular Phosphodiesterase 3 | 9154964 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9767640 | 10.1021/jm981012m | Phosphodiesterase 4 | 3 |
| 9154964 | 10.1021/jm970105l | Phosphodiesterase 4 | 3 |
| 9767640 | 10.1021/jm981012m | Phosphodiesterase 3 | 1 |
| 9154964 | 10.1021/jm970105l | Phosphodiesterase 3 | 1 |
Data from ChEMBL 36 via Core Engine