Compound Detail
CHEMBL282934
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Basic Information
| ChEMBL ID | CHEMBL282934 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WONHLGXBIZZDTI-JVMACKPJSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
338.4
MW (Da)
4.63
ALogP
3
HBA
1
HBD
55.8
PSA (Ų)
0.86
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2111373 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 3.0 | nM | 8.52 | Displacement of [3H]rolipram from mouse brain homogenates | 8568798 |
| Phosphodiesterase 4 | IC50 | = | 130.0 | nM | 6.89 | Inhibition of Phosphodiesterase 4 | 8568798 |
| ADMET | IC50 | = | 140.0 | nM | 6.85 | Ability to block the release of TNF-alpha in human monocytes | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8568798 | 10.1021/jm9505066 | Phosphodiesterase 4 | 2 |
| - | 10.1016/S0960-894X(97)00097-8 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine