Compound Detail
CHEMBL85617
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Basic Information
| ChEMBL ID | CHEMBL85617 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UPMMDJIWRGVHSR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
248.3
MW (Da)
1.56
ALogP
4
HBA
1
HBD
59.9
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 3 CHEMBL2094125 | IC50 | 6.6 | 6.6 | 251.2 | 1 |
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 6.5 | 6.5 | 316.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 3 | IC50 | = | 251.19 | nM | 6.6 | Inhibition of PDE3 in homogenates of human blood platelets | 11472205 |
| Phosphodiesterase 4 | IC50 | = | 316.23 | nM | 6.5 | Inhibition of PDE4 in the cytosol of human neutrophils | 11472205 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11472205 | 10.1021/jm010837k | Phosphodiesterase 4 | 1 |
| 11472205 | 10.1021/jm010837k | Phosphodiesterase 3 | 1 |
Data from ChEMBL 36 via Core Engine