Compound Detail
CHEMBL109754
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Basic Information
| ChEMBL ID | CHEMBL109754 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NFRVFFWQNXIPGK-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
292.3
MW (Da)
2.44
ALogP
3
HBA
0
HBD
41.9
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 4.4 | 4.4 | 40000.0 | 1 |
| Phosphodiesterase 1 CHEMBL2095150 | IC50 | 4.28 | 4.28 | 52000.0 | 1 |
| Phosphodiesterase 3 CHEMBL2094125 | IC50 | 4.11 | 4.11 | 77000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 40000.0 | nM | 4.4 | Inhibition of phosphodiesterase 4 | 15149695 |
| Phosphodiesterase 1 | IC50 | = | 52000.0 | nM | 4.28 | Inhibition of Phosphodiesterase 1 | 15149695 |
| Phosphodiesterase 3 | IC50 | = | 77000.0 | nM | 4.11 | Inhibition of phosphodiesterase 3 | 15149695 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15149695 | 10.1016/j.bmcl.2004.03.067 | Phosphodiesterase 4 | 1 |
| 15149695 | 10.1016/j.bmcl.2004.03.067 | Phosphodiesterase 1 | 1 |
| 15149695 | 10.1016/j.bmcl.2004.03.067 | Phosphodiesterase 3 | 1 |
| 15149695 | 10.1016/j.bmcl.2004.03.067 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine