Compound Detail
CHEMBL5286737
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Basic Information
| ChEMBL ID | CHEMBL5286737 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WWEHEGICBBJKLI-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
482.5
MW (Da)
4.29
ALogP
7
HBA
1
HBD
84.7
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 alpha CHEMBL2850 | IC50 | 9.24 | 9.24 | 0.6 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.85 | 8.85 | 1.4 | 1 |
| Microtubule-associated protein tau CHEMBL1293224 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 alpha | IC50 | = | 0.57 | nM | 9.24 | Inhibition of full length GST-tagged human recombinant GSK3-alpha using FL-KRREI... | 36950863 |
| Unchecked | IC50 | = | 1.4 | nM | 8.85 | Inhibition of N-terminal 6-His tagged human recombinant GSK3-beta H355L mutant u... | 36950863 |
| Microtubule-associated protein tau | IC50 | = | 130.0 | nM | 6.89 | Inhibition of tau 4R1N phosphorylation (unknown origin) at S396 residue transfec... | 36950863 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36950863 | 10.1021/acs.jmedchem.3c00133 | Unchecked | 1 |
| 36950863 | 10.1021/acs.jmedchem.3c00133 | Glycogen synthase kinase-3 alpha | 1 |
| 36950863 | 10.1021/acs.jmedchem.3c00133 | Microtubule-associated protein tau | 1 |
Data from ChEMBL 36 via Core Engine