Compound Detail
CHEMBL418231
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=C(O)Cc1ccc(C(Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL418231 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZEYKKDIJNGWYAA-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
465.4
MW (Da)
4.52
ALogP
4
HBA
1
HBD
82.7
PSA (Ų)
0.27
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4A CHEMBL254 | IC50 | 7.28 | 5.76 | 53.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4A | IC50 | = | 53.0 | nM | 7.28 | Inhibitory concentration against human PDE4A isoform using a construct represent... | 12031319 |
| 3',5'-cyclic-AMP phosphodiesterase 4A | IC50 | = | 58000.0 | nM | 4.24 | 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