Compound Detail
CHEMBL567016
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Basic Information
| ChEMBL ID | CHEMBL567016 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFSBQGADGJTHLZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
453.5
MW (Da)
3.13
ALogP
9
HBA
1
HBD
100.4
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 9.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 9.85 | 9.85 | 0.1 | 1 |
| Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha CHEMBL3878 | IC50 | 7.5 | 7.5 | 31.4 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 30.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 15.0 | % | 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 | = | 0.14 | nM | 9.85 | Inhibition of PDE5 | 19631533 |
| Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha | IC50 | = | 31.4 | nM | 7.5 | 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