Compound Detail
CHEMBL2158068
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Basic Information
| ChEMBL ID | CHEMBL2158068 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PBSUWVSCBKZZHH-NSHDSACASA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
249.3
MW (Da)
2.09
ALogP
3
HBA
1
HBD
47.6
PSA (Ų)
0.87
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.34
IC50 1 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4A CHEMBL254 | EC50 | 5.34 | 5.34 | 4600.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4A CHEMBL254 | IC50 | 5.21 | 5.21 | 6200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4A | EC50 | = | 4600.0 | nM | 5.34 | Induction of SQSTM1-dependent intracellular redistribution of GFP-tagged PDE4A4 ... | 21456625 |
| 3',5'-cyclic-AMP phosphodiesterase 4A | IC50 | = | 6200.0 | nM | 5.21 | Inhibition of full-length PDE4A4 using cAMP as substrate by two-step radiochemic... | 21456625 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21456625 | 10.1021/jm200070e | 3',5'-cyclic-AMP phosphodiesterase 4A | 2 |
Data from ChEMBL 36 via Core Engine