Compound Detail
CHEMBL35954
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
CC(C)(C(=O)O)c1cccc(-c2ccc(C(Cc3cc[n+]([O-])cc3)c3ccc(OC(F)F)c(OC(F)F)c3)cc2)c1
Basic Information
| ChEMBL ID | CHEMBL35954 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OYWPKJMMVVHGCE-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
569.5
MW (Da)
6.93
ALogP
4
HBA
1
HBD
82.7
PSA (Ų)
0.12
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4A CHEMBL254 | IC50 | 8.66 | 6.925 | 2.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4A | IC50 | = | 2.2 | nM | 8.66 | Inhibitory concentration against human PDE4A isoform using a construct represent... | 12031319 |
| 3',5'-cyclic-AMP phosphodiesterase 4A | IC50 | = | 6500.0 | nM | 5.19 | 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