Compound Detail
CHEMBL596489
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Basic Information
| ChEMBL ID | CHEMBL596489 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GRZWSROLFGURHJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
460.9
MW (Da)
4.02
ALogP
8
HBA
3
HBD
114.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL3478 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
| Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha CHEMBL3741 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
| Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A CHEMBL2717 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 17.0 | nM | 7.77 | Inhibition of bovine platelet PDE5 | 19906530 |
| Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha | IC50 | = | 600.0 | nM | 6.22 | Inhibition of bovine retina PDE6 | 19906530 |
| Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of human recombinant PDE11 | 19906530 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19906530 | 10.1016/j.bmcl.2009.10.071 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 19906530 | 10.1016/j.bmcl.2009.10.071 | Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha | 1 |
| 19906530 | 10.1016/j.bmcl.2009.10.071 | Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A | 1 |
Data from ChEMBL 36 via Core Engine