Compound Detail
CHEMBL75819
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Basic Information
| ChEMBL ID | CHEMBL75819 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IPUJXWMHZRFSAT-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
323.4
MW (Da)
4.07
ALogP
3
HBA
0
HBD
38.1
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.36
EC50 1 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| U-937 CHEMBL612794 | EC50 | 6.48 | 6.48 | 330.0 | 1 |
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 6.36 | 6.36 | 440.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| U-937 | EC50 | = | 330.0 | nM | 6.48 | Arbitary maximal response for cAMP elevation from baseline level was evaluated i... | 9632360 |
| Phosphodiesterase 4 | IC50 | = | 440.0 | nM | 6.36 | Inhibitory activity on human eosinophil phosphodiesterase 4. | 9632360 |
| Phosphodiesterase 4 | IC50 | = | 440.0 | nM | 6.36 | Inhibition of PDE4 in human eosinophil | 18686943 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18686943 | 10.1021/jm800582j | Rhesus monkey | 3 |
| 9632360 | 10.1021/jm9800090 | cGMP-specific 3',5'-cyclic phosphodiesterase | 2 |
| 9632360 | 10.1021/jm9800090 | Monkey | 2 |
| 9632360 | 10.1021/jm9800090 | Phosphodiesterase 4 | 1 |
| 9632360 | 10.1021/jm9800090 | U-937 | 1 |
| 9632360 | 10.1021/jm9800090 | Phosphodiesterase 1 | 1 |
| 9632360 | 10.1021/jm9800090 | Phosphodiesterase 3 | 1 |
| 9632360 | 10.1021/jm9800090 | Cavia porcellus | 1 |
| 9632360 | 10.1021/jm9800090 | ADMET | 1 |
| 18686943 | 10.1021/jm800582j | Phosphodiesterase 4 | 1 |
| 18686943 | 10.1021/jm800582j | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine