Compound Detail
CHEMBL42776
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Basic Information
| ChEMBL ID | CHEMBL42776 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ALYKWZQKEAKZMJ-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
355.4
MW (Da)
2.97
ALogP
6
HBA
1
HBD
76.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.82
IC50 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL4567 | EC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 4.0 | nM | 8.4 | Inhibition of Phosphodiesterase 5 from human | 8648603 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | EC50 | = | 1500.0 | nM | 5.82 | Compound was tested for inhibition of stimulation of rat aortic smooth muscle ce... | 8648603 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8648603 | 10.1021/jm950812j | cGMP-specific 3',5'-cyclic phosphodiesterase | 2 |
Data from ChEMBL 36 via Core Engine