Compound Detail
CHEMBL134441
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Basic Information
| ChEMBL ID | CHEMBL134441 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MEWCMZLEQHMKEB-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
427.5
MW (Da)
4.97
ALogP
5
HBA
0
HBD
65.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.52
Ki 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | Ki | 8.0 | 8.0 | 10.0 | 1 |
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| PBMC CHEMBL613107 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | Ki | = | 10.0 | nM | 8.0 | Binding affinity at Phosphodiesterase 4 by measuring displacement of (+/-)-[3H]-... | 9784096 |
| Phosphodiesterase 4 | IC50 | = | 30.0 | nM | 7.52 | Concentration to inhibit 50% of Phosphodiesterase 4 (PDE-4) from guinea pig macr... | 9784096 |
| PBMC | IC50 | = | 200.0 | nM | 6.7 | Inhibition of TNF-alpha release from LPS-stimulated human mononuclear cells | 9784096 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9784096 | 10.1021/jm970575f | Phosphodiesterase 4 | 2 |
| 9784096 | 10.1021/jm970575f | PBMC | 1 |
| 9784096 | 10.1021/jm970575f | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine