Compound Detail
CHEMBL171141
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Basic Information
| ChEMBL ID | CHEMBL171141 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YRADNWKOQRRDFI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
3.58
ALogP
3
HBA
1
HBD
51.2
PSA (Ų)
0.92
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2094267 | IC50 | 6.66 | 5.615 | 220.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 220.0 | nM | 6.66 | Inhibition of [3H]cAMP (NEN NET-275) binding to Calcium-Independent Phosphodiest... | 1825116 |
| Phosphodiesterase 4 | IC50 | = | 27000.0 | nM | 4.57 | Inhibition of [3H]rolipram binding to rat brain membranes. | 1825116 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1825116 | 10.1021/jm00105a015 | Phosphodiesterase 4 | 2 |
| 1825116 | 10.1021/jm00105a015 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine