Compound Detail
CHEMBL4204725
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Basic Information
| ChEMBL ID | CHEMBL4204725 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQMRBUUPHPWYOK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
3.58
ALogP
5
HBA
1
HBD
75.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 8.5 | 8.5 | 3.1 | 1 |
| Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha' CHEMBL3977 | IC50 | 8.21 | 8.21 | 6.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 3.14 | nM | 8.5 | Inhibition of N-terminal GST-tagged full length recombinant human PDE5A1 catalyt... | 29505934 |
| Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha' | IC50 | = | 6.2 | nM | 8.21 | Inhibition of N-terminal GST-tagged full length recombinant human PDE6C expresse... | 29505934 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29505934 | 10.1016/j.ejmech.2018.02.039 | Unchecked | 6 |
| 29505934 | 10.1016/j.ejmech.2018.02.039 | cGMP-specific 3',5'-cyclic phosphodiesterase | 3 |
| 29505934 | 10.1016/j.ejmech.2018.02.039 | Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha' | 1 |
| 29505934 | 10.1016/j.ejmech.2018.02.039 | Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A | 1 |
| 29505934 | 10.1016/j.ejmech.2018.02.039 | Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A | 1 |
| 29505934 | 10.1016/j.ejmech.2018.02.039 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 1 |
| 29505934 | 10.1016/j.ejmech.2018.02.039 | cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B | 1 |
| 29505934 | 10.1016/j.ejmech.2018.02.039 | 3',5'-cyclic-AMP phosphodiesterase 4A | 1 |
Data from ChEMBL 36 via Core Engine