Compound Detail
CHEMBL280729
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Basic Information
| ChEMBL ID | CHEMBL280729 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TXOWTJJUOMBYJF-SFHVURJKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
390.5
MW (Da)
5.85
ALogP
3
HBA
1
HBD
55.8
PSA (Ų)
0.50
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2111373 | IC50 | 6.18 | 6.18 | 653.0 | 1 |
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 5.85 | 5.85 | 1420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 653.0 | nM | 6.18 | Displacement of [3H]rolipram from mouse brain homogenates | 8568798 |
| Phosphodiesterase 4 | IC50 | = | 1420.0 | nM | 5.85 | Inhibition of Phosphodiesterase 4 | 8568798 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8568798 | 10.1021/jm9505066 | Phosphodiesterase 4 | 2 |
Data from ChEMBL 36 via Core Engine