Compound Detail
CHEMBL542813
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Basic Information
| ChEMBL ID | CHEMBL542813 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PGEGZPCJABBQJQ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1191678 |
| Active Moiety | CHEMBL1191678 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
281.4
MW (Da)
4.15
ALogP
3
HBA
1
HBD
50.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 1000.0 | nM | 6.0 | In vitro inhibition of PDE-V isolated from porcine pulmonary artery. | 8388468 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8388468 | 10.1021/jm00062a011 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 8388468 | 10.1021/jm00062a011 | Phosphodiesterase 3 | 1 |
| 8388468 | 10.1021/jm00062a011 | Phosphodiesterase 4 | 1 |
Data from ChEMBL 36 via Core Engine