Compound Detail
CHEMBL213219
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Basic Information
| ChEMBL ID | CHEMBL213219 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJCFZDNOEIPPIC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
395.5
MW (Da)
4.03
ALogP
6
HBA
0
HBD
65.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 7.42 | 7.42 | 38.0 | 1 |
| Phosphodiesterase 6 CHEMBL2097163 | IC50 | 6.26 | 6.26 | 550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 38.0 | nM | 7.42 | Inhibition of PDE5 | 16913726 |
| Phosphodiesterase 6 | IC50 | = | 550.0 | nM | 6.26 | Inhibition of PDE6 | 16913726 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16913726 | 10.1021/jm060265+ | Phosphodiesterase 6 | 1 |
| 16913726 | 10.1021/jm060265+ | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine