Compound Detail
CHEMBL472963
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Basic Information
| ChEMBL ID | CHEMBL472963 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OETGNFHLFFSJQQ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
407.4
MW (Da)
3.30
ALogP
6
HBA
1
HBD
108.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PBMC CHEMBL613107 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
| Blood CHEMBL613416 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PBMC | IC50 | = | 120.0 | nM | 6.92 | Inhibition of TNFalpha production in LPS-stimulated human PBMC preincubated befo... | 19256507 |
| Phosphodiesterase 4 | IC50 | = | 130.0 | nM | 6.89 | Inhibition of human PDE4 | 19256507 |
| Blood | IC50 | = | 1600.0 | nM | 5.8 | 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 |
Data from ChEMBL 36 via Core Engine