Compound Detail
CHEMBL427513
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Basic Information
| ChEMBL ID | CHEMBL427513 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MSQFNSFSIFBMMM-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
455.0
MW (Da)
4.98
ALogP
3
HBA
3
HBD
73.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity 3',5'-cyclic-AMP phosphodiesterase 7A CHEMBL3012 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Phosphodiesterase 1 CHEMBL2095150 | IC50 | 5.19 | 5.19 | 6470.0 | 1 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A CHEMBL241 | IC50 | 4.35 | 4.35 | 44500.0 | 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 | = | 20.0 | nM | 7.7 | In vitro inhibition of human Phosphodiesterase 7A1 expressed in baculovirus infe... | 15324876 |
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 1500.0 | nM | 5.82 | In vitro inhibition of human Phosphodiesterase 4D3 expressed in baculovirus infe... | 15324876 |
| Phosphodiesterase 1 | IC50 | = | 6470.0 | nM | 5.19 | In vitro inhibition of human Phosphodiesterase 1 partially purified from THP-1 c... | 15324876 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | IC50 | = | 44500.0 | nM | 4.35 | In vitro inhibition of human Phosphodiesterase 3A3 expressed in baculovirus infe... | 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 |
Data from ChEMBL 36 via Core Engine