Compound Detail
CHEMBL558466
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Basic Information
| ChEMBL ID | CHEMBL558466 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UAMMPZAQBXSNGC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
440.5
MW (Da)
3.86
ALogP
7
HBA
1
HBD
78.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 7.65 | 7.65 | 22.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 22.4 | nM | 7.65 | Inhibition of PDE5 | 19540112 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 22.39 | nM | 7.65 | Inhibition of PDE5 (unknown origin) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19540112 | 10.1016/j.bmcl.2009.06.012 | Unchecked | 2 |
| 19540112 | 10.1016/j.bmcl.2009.06.012 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| - | 10.1007/s00044-010-9523-y | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine