Compound Detail
CHEMBL3315083
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Basic Information
| ChEMBL ID | CHEMBL3315083 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QAWMQQLOQHCIJW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
489.4
MW (Da)
4.53
ALogP
6
HBA
1
HBD
86.8
PSA (Ų)
0.42
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| PBMC CHEMBL613107 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 3.0 | nM | 8.52 | Inhibition of human recombinant PDE4D after 1 hr by SPA in presence of radioacti... | 24984230 |
| PBMC | IC50 | = | 12.0 | nM | 7.92 | Inhibition of LPS-induced TNFalpha release in human PBMC preincubated for 30 min... | 24984230 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24984230 | 10.1021/jm500378a | No relevant target | 6 |
| 24984230 | 10.1021/jm500378a | 3',5'-cyclic-AMP phosphodiesterase 4D | 1 |
| 24984230 | 10.1021/jm500378a | PBMC | 1 |
| 24984230 | 10.1021/jm500378a | Liver microsome | 1 |
Data from ChEMBL 36 via Core Engine