Compound Detail
CHEMBL3360155
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Basic Information
| ChEMBL ID | CHEMBL3360155 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXUPKIQPAUKGOL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
285.4
MW (Da)
3.53
ALogP
5
HBA
1
HBD
46.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity 3',5'-cyclic-AMP phosphodiesterase 7A CHEMBL3012 | IC50 | 7.06 | 7.06 | 88.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 5.37 | 5.37 | 4300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| High affinity 3',5'-cyclic-AMP phosphodiesterase 7A | IC50 | = | 88.0 | nM | 7.06 | Inhibition of PDE7A (unknown origin) | 25529739 |
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 4300.0 | nM | 5.37 | Inhibition of PDE4B (unknown origin) | 25529739 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25529739 | 10.1016/j.bmcl.2014.11.090 | High affinity 3',5'-cyclic-AMP phosphodiesterase 7A | 1 |
| 25529739 | 10.1016/j.bmcl.2014.11.090 | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
| 25529739 | 10.1016/j.bmcl.2014.11.090 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine