Compound Detail
CHEMBL185531
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Basic Information
| ChEMBL ID | CHEMBL185531 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HZCCNMVBAFUWEF-ICFOKQHNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
317.8
MW (Da)
3.74
ALogP
5
HBA
1
HBD
50.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity 3',5'-cyclic-AMP phosphodiesterase 7A CHEMBL3012 | IC50 | 5.28 | 5.28 | 5300.0 | 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 | = | 5300.0 | nM | 5.28 | Inhibition of human Phosphodiesterase 7A1 expressed in baculovirus infected Sf9 ... | 15324874 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15324874 | 10.1016/j.bmcl.2004.07.008 | High affinity 3',5'-cyclic-AMP phosphodiesterase 7A | 1 |
| 15324874 | 10.1016/j.bmcl.2004.07.008 | 3',5'-cyclic-AMP phosphodiesterase 4D | 1 |
| 15324874 | 10.1016/j.bmcl.2004.07.008 | Phosphodiesterase 1 | 1 |
| 15324874 | 10.1016/j.bmcl.2004.07.008 | cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | 1 |
| 15324874 | 10.1016/j.bmcl.2004.07.008 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine