Compound Detail
CHEMBL516604
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Basic Information
| ChEMBL ID | CHEMBL516604 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZJXVOPCDMXSVJP-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
252.3
MW (Da)
0.09
ALogP
6
HBA
1
HBD
81.9
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 1 CHEMBL2097166 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 5.52 | 5.52 | 3020.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 1 | IC50 | = | 1800.0 | nM | 5.75 | Inhibitory concentration against phosphodiesterase 1 from bovine, calmodulin | 15125967 |
| Unchecked | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of phosphodiesterase 1 | 18588282 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 3020.0 | nM | 5.52 | Inhibitory concentration against phosphodiesterase 5 (PDE5) from human platelet | 15125967 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15125967 | 10.1016/j.bmcl.2004.03.021 | Phosphodiesterase 1 | 1 |
| 15125967 | 10.1016/j.bmcl.2004.03.021 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 1 |
| 15125967 | 10.1016/j.bmcl.2004.03.021 | Phosphodiesterase 3 | 1 |
| 15125967 | 10.1016/j.bmcl.2004.03.021 | Phosphodiesterase 4 | 1 |
| 15125967 | 10.1016/j.bmcl.2004.03.021 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 15125967 | 10.1016/j.bmcl.2004.03.021 | Unchecked | 1 |
| 18588282 | 10.1021/jm701575k | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine