Compound Detail
CHEMBL30619
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Basic Information
| ChEMBL ID | CHEMBL30619 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJWDCPYULRMOJI-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
318.4
MW (Da)
4.37
ALogP
5
HBA
1
HBD
50.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.22
EC50 1 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 6.22 | 6.22 | 600.0 | 2 |
| Phosphodiesterase 4 CHEMBL2094267 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Phosphodiesterase 4 CHEMBL2093863 | EC50 | 5.46 | 5.46 | 3500.0 | 1 |
| Phosphodiesterase 3 CHEMBL2094125 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 600.0 | nM | 6.22 | Inhibitory activity against phosphodiesterase 4 isolated from guinea pig ventric... | 9767640 |
| Phosphodiesterase 4 | IC50 | = | 600.0 | nM | 6.22 | Inhibitory activity against (PDE IV) phosphodiesterase IV in guinea pig articula... | 12668000 |
| Phosphodiesterase 4 | IC50 | = | 1400.0 | nM | 5.85 | Affinity for the high affinity rolipram binding site of phosphodiesterase (PDE I... | 9767640 |
| Phosphodiesterase 4 | EC50 | = | 3500.0 | nM | 5.46 | Increased cAMP accumulation in isoprenaline-induced guinea pig eosinophils | 9767640 |
| Phosphodiesterase 3 | IC50 | = | 14000.0 | nM | 4.85 | Inhibitory activity against cGMP inhibited Phosphodiesterase 3, isolated from gu... | 9767640 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9767640 | 10.1021/jm981012m | Phosphodiesterase 4 | 4 |
| 9767640 | 10.1021/jm981012m | Phosphodiesterase 3 | 1 |
| 12668000 | 10.1016/s0960-894x(03)00172-0 | Phosphodiesterase 4 | 1 |
Data from ChEMBL 36 via Core Engine