Compound Detail
CHEMBL4543264
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Basic Information
| ChEMBL ID | CHEMBL4543264 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QHONGBGYYQWCAI-NRFANRHFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
378.5
MW (Da)
4.26
ALogP
3
HBA
1
HBD
54.6
PSA (Ų)
0.63
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 5.57 | 5.57 | 2710.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 130.0 | nM | 6.89 | Inhibition of recombinant human PDE4D catalytic domain using [3H]cAMP as substra... | 31099559 |
| Phosphodiesterase 4 | IC50 | = | 2710.0 | nM | 5.57 | Inhibition of PDE4 in human PBMC assessed as reduction in LPS-stimulated TNFalph... | 31099559 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31099559 | 10.1021/acs.jmedchem.9b00518 | 3',5'-cyclic-AMP phosphodiesterase 4D | 1 |
| 31099559 | 10.1021/acs.jmedchem.9b00518 | Phosphodiesterase 4 | 1 |
Data from ChEMBL 36 via Core Engine