Compound Detail
CHEMBL35440
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[O-][n+]1ccc(CC(c2ccc(C3(O)CC3)cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL35440 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GFOVPHSIJYDMMW-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
463.4
MW (Da)
4.88
ALogP
4
HBA
1
HBD
65.6
PSA (Ų)
0.28
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4A CHEMBL254 | IC50 | 7.8 | 6.785 | 16.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4A | IC50 | = | 16.0 | nM | 7.8 | Inhibitory concentration against human PDE4A isoform using a construct represent... | 12031319 |
| 3',5'-cyclic-AMP phosphodiesterase 4A | IC50 | = | 1700.0 | nM | 5.77 | Inhibitory concentration of compound against LPS- induced TNF-alpha production i... | 12031319 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12031319 | 10.1016/s0960-894x(02)00190-7 | 3',5'-cyclic-AMP phosphodiesterase 4A | 2 |
Data from ChEMBL 36 via Core Engine