Compound Detail
CHEMBL521075
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Basic Information
| ChEMBL ID | CHEMBL521075 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OXGSPQPAZQTQCO-UHFFFAOYSA-N |
4
Targets
9
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
444.9
MW (Da)
3.80
ALogP
7
HBA
3
HBD
105.6
PSA (Ų)
0.46
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL3478 | IC50 | 9.0 | 9.0 | 1.0 | 2 |
| Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha CHEMBL3741 | IC50 | 6.34 | 6.34 | 460.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.34 | 5.3825 | 460.0 | 4 |
| Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A CHEMBL2717 | IC50 | 4.98 | 4.98 | 10500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 1.0 | nM | 9.0 | Inhibition of bovine PDE5 | 18976905 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 1.0 | nM | 9.0 | Inhibition of bovine platelet PDE5 | 19906530 |
| Unchecked | IC50 | = | 460.0 | nM | 6.34 | Inhibition of bovine PDE6 | 18976905 |
| Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha | IC50 | = | 460.0 | nM | 6.34 | Inhibition of bovine retina PDE6 | 19906530 |
| Unchecked | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of bovine PDE1 | 18976905 |
| Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A | IC50 | = | 10500.0 | nM | 4.98 | Inhibition of human recombinant PDE11 | 18976905 |
| Unchecked | IC50 | = | 10400.0 | nM | 4.98 | Inhibition of bovine PDE2 | 18976905 |
| Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A | IC50 | = | 10500.0 | nM | 4.98 | Inhibition of human recombinant PDE11 | 19906530 |
| Unchecked | IC50 | = | 25500.0 | nM | 4.59 | Inhibition of bovine PDE3 | 18976905 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18976905 | 10.1016/j.bmcl.2008.09.108 | Unchecked | 9 |
| 19906530 | 10.1016/j.bmcl.2009.10.071 | Liver microsomes | 2 |
| 18976905 | 10.1016/j.bmcl.2008.09.108 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 18976905 | 10.1016/j.bmcl.2008.09.108 | Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A | 1 |
| 18976905 | 10.1016/j.bmcl.2008.09.108 | Caco-2 | 1 |
| 18976905 | 10.1016/j.bmcl.2008.09.108 | ADMET | 1 |
| 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 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine