Compound Detail
CHEMBL139785
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Basic Information
| ChEMBL ID | CHEMBL139785 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VACBVKDJXVLWTI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
477.5
MW (Da)
5.07
ALogP
7
HBA
1
HBD
97.9
PSA (Ų)
0.39
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | Ki | 9.82 | 9.82 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | Ki | = | 0.15 | nM | 9.82 | Inhibitory activity against Phosphodiesterase 5 (PDE5) was evaluated | 12540243 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12540243 | 10.1021/jm0202573 | Unchecked | 2 |
| 12540243 | 10.1021/jm0202573 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 12540243 | 10.1021/jm0202573 | Phosphodiesterase, PDE1/PDE5 | 1 |
| 12540243 | 10.1021/jm0202573 | Phosphodiesterase 2 and 5 (PDE2 and PDE5) | 1 |
| 12540243 | 10.1021/jm0202573 | Phosphodiesterase 3 and 5 (PDE3 and PDE5) | 1 |
| 12540243 | 10.1021/jm0202573 | Phosphodiesterase 4 and 5 (PDE4 and PDE5) | 1 |
Data from ChEMBL 36 via Core Engine