Compound Detail
CHEMBL1642568
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Basic Information
| ChEMBL ID | CHEMBL1642568 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PXIUKGSKVQLIBW-UHFFFAOYSA-N |
7
Targets
9
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
381.5
MW (Da)
4.69
ALogP
5
HBA
0
HBD
48.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A CHEMBL4409 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A CHEMBL241 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B CHEMBL4425 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 7B CHEMBL4716 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.0 | 5.0 | 10000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | IC50 | = | 16.0 | nM | 7.8 | Inhibition of human PDE10A expressed in Sf9 cells using [3H]cAMP by scintillatio... | 21087867 |
| Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of PDE1B | 21087867 |
| Unchecked | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of PDE2 | 21087867 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of PDE3A | 21087867 |
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of PDE4D6 | 21087867 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of PDE5A | 21087867 |
| 3',5'-cyclic-AMP phosphodiesterase 7B | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of PDE7B | 21087867 |
| Unchecked | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of PDE9 | 21087867 |
| Unchecked | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of PDE11 | 21087867 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21087867 | 10.1016/j.bmc.2010.10.038 | Unchecked | 3 |
| 21087867 | 10.1016/j.bmc.2010.10.038 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 1 |
| 21087867 | 10.1016/j.bmc.2010.10.038 | Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B | 1 |
| 21087867 | 10.1016/j.bmc.2010.10.038 | cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | 1 |
| 21087867 | 10.1016/j.bmc.2010.10.038 | 3',5'-cyclic-AMP phosphodiesterase 4D | 1 |
| 21087867 | 10.1016/j.bmc.2010.10.038 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 21087867 | 10.1016/j.bmc.2010.10.038 | 3',5'-cyclic-AMP phosphodiesterase 7B | 1 |
Data from ChEMBL 36 via Core Engine