Compound Detail
CHEMBL2331810
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Basic Information
| ChEMBL ID | CHEMBL2331810 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZSWOSGTHVXPLU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
292.3
MW (Da)
4.44
ALogP
3
HBA
2
HBD
49.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 4.51 | 4.51 | 31000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 31000.0 | nM | 4.51 | Inhibition of human PDE4B2 | 23301853 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23301853 | 10.1021/np300749w | Candida albicans | 1 |
| 23301853 | 10.1021/np300749w | Staphylococcus aureus | 1 |
| 23301853 | 10.1021/np300749w | SF-268 | 1 |
| 23301853 | 10.1021/np300749w | NON-PROTEIN TARGET | 1 |
| 23301853 | 10.1021/np300749w | MCF7 | 1 |
| 23301853 | 10.1021/np300749w | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
| 27557136 | 10.1021/acs.jnatprod.6b00197 | Candida albicans | 1 |
Data from ChEMBL 36 via Core Engine