Compound Detail
CHEMBL560408
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Basic Information
| ChEMBL ID | CHEMBL560408 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HOMJGWXHCJJBEQ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
478.6
MW (Da)
3.19
ALogP
9
HBA
1
HBD
94.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 9.4 | 8.485 | 0.4 | 2 |
| Unchecked CHEMBL612545 | IC50 | 8.23 | 7.915 | 5.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 0.4 | nM | 9.4 | Inhibition of PDE5 | 19540112 |
| Unchecked | IC50 | = | 5.9 | nM | 8.23 | Inhibition of PDE11 | 19540112 |
| Unchecked | IC50 | = | 25.2 | nM | 7.6 | Inhibition of PDE6 | 19540112 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 26.92 | nM | 7.57 | 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 |
| 19540112 | 10.1016/j.bmcl.2009.06.012 | No relevant target | 1 |
| - | 10.1007/s00044-010-9523-y | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine