Compound Detail
CHEMBL298535
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Basic Information
| ChEMBL ID | CHEMBL298535 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LSJMCZVDVVSHJA-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
298.4
MW (Da)
3.08
ALogP
5
HBA
2
HBD
83.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 7.3 | 7.195 | 50.0 | 2 |
| Phosphodiesterase 1 CHEMBL2111322 | IC50 | 6.07 | 6.07 | 860.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 50.0 | nM | 7.3 | Inhibition of phosphodiesterase 5 | 15993055 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 82.0 | nM | 7.09 | Inhibition of Phosphodiesterase 5 from human corpus cavernosum | - |
| Phosphodiesterase 1 | IC50 | = | 860.0 | nM | 6.07 | Inhibition of Phosphodiesterase 1 from rat liver | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00323-X | Phosphodiesterase 1 | 1 |
| - | 10.1016/0960-894X(96)00323-X | Phosphodiesterase 3 | 1 |
| - | 10.1016/0960-894X(96)00323-X | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 15993055 | 10.1016/j.bmcl.2005.05.090 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 22370268 | 10.1016/j.bmcl.2012.01.119 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine