Compound Detail
CHEMBL113368
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Basic Information
| ChEMBL ID | CHEMBL113368 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUBPQEOPYAXHPC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
293.3
MW (Da)
1.83
ALogP
4
HBA
0
HBD
54.8
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 4.04 | 4.04 | 91000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 23000.0 | nM | 4.64 | Inhibition of phosphodiesterase 4 | 15149695 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 91000.0 | nM | 4.04 | Inhibition of Phosphodiesterase 5 | 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