Compound Detail
CHEMBL48017
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Basic Information
| ChEMBL ID | CHEMBL48017 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WFWCXZPAPUKWOC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
327.2
MW (Da)
3.66
ALogP
4
HBA
1
HBD
60.5
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
| PBMC CHEMBL613107 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
| Phosphodiesterase 4A CHEMBL3333 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 17.0 | nM | 7.77 | Inhibition of human recombinant PDE4D after 1 hr by SPA in presence of radioacti... | 24984230 |
| PBMC | IC50 | = | 19.0 | nM | 7.72 | Inhibition of LPS-induced TNFalpha release in human PBMC preincubated for 30 min... | 24984230 |
| Phosphodiesterase 4A | IC50 | = | 100.0 | nM | 7.0 | Inhibitory potency against pig aortic PDE IV | 8201604 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22023548 | 10.1021/jm201148s | Unchecked | 2 |
| 8201604 | 10.1021/jm00037a021 | Phosphodiesterase 4A | 1 |
| 24984230 | 10.1021/jm500378a | 3',5'-cyclic-AMP phosphodiesterase 4D | 1 |
| 24984230 | 10.1021/jm500378a | PBMC | 1 |
Data from ChEMBL 36 via Core Engine