Compound Detail
CHEMBL72688
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Basic Information
| ChEMBL ID | CHEMBL72688 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLTKYAXEBNEYLW-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
365.4
MW (Da)
3.79
ALogP
4
HBA
0
HBD
47.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.49
IC50 1 meas. best 5.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 5.97 | 5.97 | 1080.0 | 1 |
| U-937 CHEMBL612794 | EC50 | 5.49 | 5.49 | 3210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 1080.0 | nM | 5.97 | Inhibitory activity on human eosinophil phosphodiesterase 4. | 9632360 |
| U-937 | EC50 | = | 3210.0 | nM | 5.49 | Arbitary maximal response for cAMP elevation from baseline level was evaluated i... | 9632360 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9632360 | 10.1021/jm9800090 | Phosphodiesterase 4 | 1 |
| 9632360 | 10.1021/jm9800090 | U-937 | 1 |
Data from ChEMBL 36 via Core Engine