Compound Detail
CHEMBL294606
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Basic Information
| ChEMBL ID | CHEMBL294606 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XFMKUUVGSXQVAL-GRSHGNNSSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
454.4
MW (Da)
5.54
ALogP
3
HBA
0
HBD
38.8
PSA (Ų)
0.57
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
| Phosphodiesterase 4 CHEMBL2111373 | IC50 | 4.24 | 4.24 | 57000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 3600.0 | nM | 5.44 | Inhibition of Phosphodiesterase 4 | - |
| Phosphodiesterase 4 | IC50 | = | 57000.0 | nM | 4.24 | Inhibition of [3H]rolipram binding to Phosphodiesterase 4 (PDE IV) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00333-O | Phosphodiesterase 4 | 2 |
| - | 10.1016/0960-894X(95)00333-O | Phosphodiesterase 3 | 1 |
Data from ChEMBL 36 via Core Engine