Compound Detail
CHEMBL169746
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Basic Information
| ChEMBL ID | CHEMBL169746 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJIBWEPWTWDEJU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
274.4
MW (Da)
3.85
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2094267 | IC50 | 7.35 | 7.35 | 45.0 | 1 |
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 45.0 | nM | 7.35 | Competition of [3H]rolipram binding sites in the central nervous system (HPDE4) ... | 9526558 |
| Phosphodiesterase 4 | IC50 | = | 500.0 | nM | 6.3 | Inhibition activity against human monocyte derived PDE4 catalytic activity (LPDE... | 9526558 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9526558 | 10.1021/jm970090r | Phosphodiesterase 4 | 2 |
| 9526558 | 10.1021/jm970090r | Cavia porcellus | 2 |
| 9526558 | 10.1021/jm970090r | Mus musculus | 1 |
| 9526558 | 10.1021/jm970090r | ADMET | 1 |
| 9526558 | 10.1021/jm970090r | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine