Compound Detail
CHEMBL4778175
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Basic Information
| ChEMBL ID | CHEMBL4778175 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBWROMQYRCOQPY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
342.4
MW (Da)
4.33
ALogP
6
HBA
1
HBD
65.1
PSA (Ų)
0.56
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 4.9 | 4.9 | 12590.0 | 1 |
| High affinity 3',5'-cyclic-AMP phosphodiesterase 7A CHEMBL3012 | IC50 | 4.08 | 4.08 | 83300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 12590.0 | nM | 4.9 | Inhibition of human recombinant PDE4B using cAMP as substrate incubated for 20 m... | 33022582 |
| High affinity 3',5'-cyclic-AMP phosphodiesterase 7A | IC50 | = | 83300.0 | nM | 4.08 | Inhibition of human recombinant PDE7A using cAMP as substrate incubated for 20 m... | 33022582 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33022582 | 10.1016/j.ejmech.2020.112854 | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
| 33022582 | 10.1016/j.ejmech.2020.112854 | High affinity 3',5'-cyclic-AMP phosphodiesterase 7A | 1 |
Data from ChEMBL 36 via Core Engine