Compound Detail
CHEMBL164800
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[O-][n+]1ccc(CC(c2ccc(N3CCCC3)nc2)c2ccc(OC(F)F)c(OC(F)F)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL164800 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WKELFFXNLPITJQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
477.5
MW (Da)
4.89
ALogP
5
HBA
0
HBD
61.5
PSA (Ų)
0.25
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4A CHEMBL254 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4A | IC50 | = | 31.0 | nM | 7.51 | Inhibitory activity against human PDE4A expressed isoform using construct repres... | 12639571 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12639571 | 10.1016/s0960-894x(02)01030-2 | 3',5'-cyclic-AMP phosphodiesterase 4A | 1 |
Data from ChEMBL 36 via Core Engine