Compound Detail
CHEMBL4290996
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Basic Information
| ChEMBL ID | CHEMBL4290996 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SZDFDEOPRKEQBC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
441.5
MW (Da)
2.55
ALogP
8
HBA
1
HBD
100.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 4.37 | 4.37 | 42460.0 | 1 |
| High affinity 3',5'-cyclic-AMP phosphodiesterase 7A CHEMBL3012 | IC50 | 4.26 | 4.26 | 54280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 42460.0 | nM | 4.37 | Inhibition of recombinant human PDE4B using cAMP as substrate after 10 mins by P... | 30245393 |
| High affinity 3',5'-cyclic-AMP phosphodiesterase 7A | IC50 | = | 54280.0 | nM | 4.26 | Inhibition of recombinant human PDE7A using cAMP as substrate after 10 mins by P... | 30245393 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30245393 | 10.1016/j.ejmech.2018.09.021 | High affinity 3',5'-cyclic-AMP phosphodiesterase 7A | 1 |
| 30245393 | 10.1016/j.ejmech.2018.09.021 | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
| 30245393 | 10.1016/j.ejmech.2018.09.021 | Transient receptor potential cation channel subfamily A member 1 | 1 |
| 34391892 | 10.1016/j.bmcl.2021.128318 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine