Compound Detail
CHEMBL36242
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Cc1ccc(C(=O)c2ccc(C(Cc3cc[n+]([O-])cc3)c3ccc(OC(F)F)c(OC(F)F)c3)cc2)nc1
Basic Information
| ChEMBL ID | CHEMBL36242 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ONHWYOXYXVKPFJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
526.5
MW (Da)
5.83
ALogP
5
HBA
0
HBD
75.4
PSA (Ų)
0.11
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4A CHEMBL254 | IC50 | 8.14 | 7.095 | 7.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4A | IC50 | = | 7.3 | nM | 8.14 | Inhibitory concentration against human PDE4A isoform using a construct represent... | 12031319 |
| 3',5'-cyclic-AMP phosphodiesterase 4A | IC50 | = | 890.0 | nM | 6.05 | 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