Compound Detail
CHEMBL86112
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Basic Information
| ChEMBL ID | CHEMBL86112 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYOGUDRZODERFH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
328.4
MW (Da)
3.24
ALogP
4
HBA
0
HBD
51.1
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 8.9 | 8.9 | 1.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 1.259 | nM | 8.9 | Inhibitory concentration against phosphodiesterase 4 (PDE4) in cytosol of human ... | 12036360 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12036360 | 10.1021/jm0110340 | Phosphodiesterase 4 | 1 |
| 12036360 | 10.1021/jm0110340 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine