Compound Detail
CHEMBL566819
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Basic Information
| ChEMBL ID | CHEMBL566819 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JMNQZJVQPHPGQE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
412.4
MW (Da)
1.19
ALogP
9
HBA
2
HBD
134.2
PSA (Ų)
0.47
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 8.59 | 8.59 | 2.6 | 1 |
| Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha CHEMBL3878 | IC50 | 6.4 | 6.4 | 398.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 2.59 | nM | 8.59 | Inhibition of PDE5 | 19631533 |
| Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha | IC50 | = | 398.0 | nM | 6.4 | Inhibition of PDE6 | 19631533 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19631533 | 10.1016/j.bmcl.2009.07.019 | Unchecked | 2 |
| 19631533 | 10.1016/j.bmcl.2009.07.019 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 19631533 | 10.1016/j.bmcl.2009.07.019 | Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha | 1 |
Data from ChEMBL 36 via Core Engine