Compound Detail
CHEMBL4082746
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Basic Information
| ChEMBL ID | CHEMBL4082746 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FNXJOXSSQRHWTH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
426.4
MW (Da)
6.01
ALogP
4
HBA
1
HBD
58.9
PSA (Ų)
0.38
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 30.0 | nM | 7.52 | Inhibition of PDE5A1 catalytic domain (535 to 860 residues) (unknown origin) exp... | 28686445 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28686445 | 10.1021/acs.jmedchem.7b00523 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine