Compound Detail
CHEMBL569045
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Basic Information
| ChEMBL ID | CHEMBL569045 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QOCNJEYUBJPSAC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
447.5
MW (Da)
2.69
ALogP
10
HBA
1
HBD
116.9
PSA (Ų)
0.37
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 9.55 | 9.55 | 0.3 | 1 |
| Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha CHEMBL3878 | IC50 | 7.63 | 7.63 | 23.6 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | - | - | Rattus norvegicus |
| F | - | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 0.28 | nM | 9.55 | Inhibition of PDE5 | 19631533 |
| Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha | IC50 | = | 23.6 | nM | 7.63 | Inhibition of PDE6 | 19631533 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19631533 | 10.1016/j.bmcl.2009.07.019 | Rattus norvegicus | 3 |
| 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