Compound Detail
CHEMBL3545918
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Basic Information
| ChEMBL ID | CHEMBL3545918 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PCUPUKBQZROPFR-MSUUIHNZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
297.4
MW (Da)
2.49
ALogP
5
HBA
1
HBD
50.4
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 7 CHEMBL2111411 | IC50 | 5.96 | 5.96 | 1110.0 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 5.71 | 5.71 | 1950.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 7 | IC50 | = | 1110.0 | nM | 5.96 | Inhibition of full length PDE7 (unknown origin) using FAM-cAMP as substrate by f... | 36796299 |
| Glycogen synthase kinase-3 beta | IC50 | = | 1950.0 | nM | 5.71 | Inhibition of GSK-3beta (unknown origin) | 36796299 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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