Compound Detail
CHEMBL594160
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Basic Information
| ChEMBL ID | CHEMBL594160 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HHYZCHIATOFILW-UHFFFAOYSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
460.9
MW (Da)
3.65
ALogP
8
HBA
2
HBD
106.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL3478 | IC50 | 9.22 | 9.22 | 0.6 | 1 |
| Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha CHEMBL3741 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A CHEMBL2717 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.92 | 4.5967 | 12000.0 | 3 |
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 4.08 | 4.08 | 84000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 0.6 | nM | 9.22 | Inhibition of bovine platelet PDE5 | 19906530 |
| Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha | IC50 | = | 140.0 | nM | 6.85 | Inhibition of bovine retina PDE6 | 19906530 |
| Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of human recombinant PDE11 | 19906530 |
| Unchecked | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of bovine heart PDE1 | 19906530 |
| Unchecked | IC50 | = | 32000.0 | nM | 4.5 | Inhibition of bovine heart PDE2 | 19906530 |
| Unchecked | IC50 | = | 43000.0 | nM | 4.37 | Inhibition of bovine platelet PDE3 | 19906530 |
| Phosphodiesterase 4 | IC50 | = | 84000.0 | nM | 4.08 | Inhibition of human recombinant PDE4 | 19906530 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19906530 | 10.1016/j.bmcl.2009.10.071 | Unchecked | 3 |
| 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 |
| 19906530 | 10.1016/j.bmcl.2009.10.071 | Phosphodiesterase 4 | 1 |
| 19906530 | 10.1016/j.bmcl.2009.10.071 | Liver microsomes | 1 |
| 19906530 | 10.1016/j.bmcl.2009.10.071 | Caco-2 | 1 |
| 19906530 | 10.1016/j.bmcl.2009.10.071 | No relevant target | 1 |
| 19906530 | 10.1016/j.bmcl.2009.10.071 | L5178Y | 1 |
| 19906530 | 10.1016/j.bmcl.2009.10.071 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine