Compound Detail
CHEMBL5613951
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Basic Information
| ChEMBL ID | CHEMBL5613951 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DUDNZBPCJBAIFT-MRCUWXFGSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
366.5
MW (Da)
2.83
ALogP
6
HBA
0
HBD
42.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 6.06 | 6.06 | 880.0 | 1 |
| Glycogen synthase kinase-3 alpha CHEMBL2850 | IC50 | 6.06 | 6.06 | 880.0 | 1 |
| Phosphodiesterase 7 CHEMBL2111411 | IC50 | 5.8 | 5.8 | 1590.0 | 1 |
| High affinity 3',5'-cyclic-AMP phosphodiesterase 7A CHEMBL3012 | IC50 | 5.8 | 5.8 | 1590.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 alpha | IC50 | = | 880.0 | nM | 6.06 | Inhibition of GSK3alpha (unknown origin) | 38614063 |
| Glycogen synthase kinase-3 beta | IC50 | = | 880.0 | nM | 6.06 | Inhibition of GSK3beta (unknown origin) activity assessed as fluorescence intens... | 36796299 |
| High affinity 3',5'-cyclic-AMP phosphodiesterase 7A | IC50 | = | 1590.0 | nM | 5.8 | Inhibition of PDE7A (unknown origin) | 38614063 |
| Phosphodiesterase 7 | IC50 | = | 1590.0 | nM | 5.8 | Inhibition of PDE7 (unknown origin) by fluorescent based assay | 36796299 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38614063 | 10.1016/j.ejmech.2024.116386 | High affinity 3',5'-cyclic-AMP phosphodiesterase 7A | 1 |
| 38614063 | 10.1016/j.ejmech.2024.116386 | Glycogen synthase kinase-3 alpha | 1 |
| 36796299 | 10.1016/j.ejmech.2023.115194 | Phosphodiesterase 7 | 1 |
| 36796299 | 10.1016/j.ejmech.2023.115194 | Glycogen synthase kinase-3 beta | 1 |
Data from ChEMBL 36 via Core Engine