Compound Detail
CHEMBL3354274
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Basic Information
| ChEMBL ID | CHEMBL3354274 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QIXUGHCZIHZNMG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
456.9
MW (Da)
2.50
ALogP
8
HBA
3
HBD
112.5
PSA (Ų)
0.43
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL2304402 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 4.5 | 4.5 | 32000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 32.0 | nM | 7.5 | Inhibition of dog lungs PDE5 using [3H]cGMP as substrate after 30 mins by scinti... | 25455484 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 32000.0 | nM | 4.5 | Inhibition of PDE5 (unknown origin) | 32631538 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25455484 | 10.1016/j.bmcl.2014.10.008 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 32631538 | 10.1016/j.bmcl.2020.127337 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine