Compound Detail
CHEMBL182703
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Basic Information
| ChEMBL ID | CHEMBL182703 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OFWGHMAISKOSQV-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
326.8
MW (Da)
5.30
ALogP
1
HBA
2
HBD
41.1
PSA (Ų)
0.73
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity 3',5'-cyclic-AMP phosphodiesterase 7A CHEMBL3012 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Phosphodiesterase 7 CHEMBL2111411 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 5.85 | 5.85 | 1420.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288 | IC50 | 5.85 | 5.85 | 1420.0 | 1 |
| Phosphodiesterase 1 CHEMBL2095150 | IC50 | 5.49 | 5.49 | 3260.0 | 1 |
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 4.16 | 4.16 | 69800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| High affinity 3',5'-cyclic-AMP phosphodiesterase 7A | IC50 | = | 10.0 | nM | 8.0 | Inhibition of human Phosphodiesterase 7A1 expressed in baculovirus infected Sf9 ... | 15324876 |
| Phosphodiesterase 7 | IC50 | = | 16.0 | nM | 7.8 | Inhibition of recombinant PDE7 (unknown origin) expressed in Escherichia coli BL... | 36796299 |
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 1420.0 | nM | 5.85 | Inhibition of human Phosphodiesterase 4D3 expressed in baculovirus infected Sf9 ... | 15324876 |
| Phosphodiesterase 4 | IC50 | = | 1420.0 | nM | 5.85 | Inhibition of human recombinant PDE4 | 36796299 |
| Phosphodiesterase 1 | IC50 | = | 3260.0 | nM | 5.49 | Inhibition of human Phosphodiesterase 1 partially purified from THP-1 cells | 15324876 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 69800.0 | nM | 4.16 | Inhibition of human Phosphodiesterase 5 | 15324876 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15324876 | 10.1016/j.bmcl.2004.07.011 | High affinity 3',5'-cyclic-AMP phosphodiesterase 7A | 1 |
| 15324876 | 10.1016/j.bmcl.2004.07.011 | Phosphodiesterase 1 | 1 |
| 15324876 | 10.1016/j.bmcl.2004.07.011 | cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | 1 |
| 15324876 | 10.1016/j.bmcl.2004.07.011 | 3',5'-cyclic-AMP phosphodiesterase 4D | 1 |
| 15324876 | 10.1016/j.bmcl.2004.07.011 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 36796299 | 10.1016/j.ejmech.2023.115194 | Phosphodiesterase 7 | 1 |
| 36796299 | 10.1016/j.ejmech.2023.115194 | Phosphodiesterase 4 | 1 |
Data from ChEMBL 36 via Core Engine