Compound Detail
CHEMBL473205
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Basic Information
| ChEMBL ID | CHEMBL473205 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPAAJUYHFYEOJO-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
417.5
MW (Da)
2.78
ALogP
6
HBA
0
HBD
90.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 7.17 | 7.17 | 68.0 | 1 |
| PBMC CHEMBL613107 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
| Blood CHEMBL613416 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 68.0 | nM | 7.17 | Inhibition of human PDE4 | 19256507 |
| PBMC | IC50 | = | 270.0 | nM | 6.57 | Inhibition of TNFalpha production in LPS-stimulated human PBMC preincubated befo... | 19256507 |
| Blood | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of TNFalpha production in LPS-stimulated human whole blood preincubat... | 19256507 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19256507 | 10.1021/jm900210d | Phosphodiesterase 4 | 1 |
| 19256507 | 10.1021/jm900210d | PBMC | 1 |
| 19256507 | 10.1021/jm900210d | Blood | 1 |
| 19256507 | 10.1021/jm900210d | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine