Compound Detail
CHEMBL5269379
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Basic Information
| ChEMBL ID | CHEMBL5269379 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UVTJZQHSPPYGDG-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
315.3
MW (Da)
3.04
ALogP
5
HBA
1
HBD
72.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 alpha CHEMBL2850 | IC50 | 8.28 | 8.225 | 5.3 | 2 |
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 7.77 | 7.77 | 17.1 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Microtubule-associated protein tau CHEMBL1293224 | IC50 | 6.18 | 6.18 | 660.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 alpha | IC50 | = | 5.3 | nM | 8.28 | Inhibition of GSK3alpha (unknown origin) | 34607244 |
| Glycogen synthase kinase-3 alpha | IC50 | = | 6.7 | nM | 8.17 | Inhibition of full length GST-tagged human recombinant GSK3-alpha using FL-KRREI... | 36950863 |
| Glycogen synthase kinase-3 beta | IC50 | = | 17.1 | nM | 7.77 | Inhibition of GSK3beta (unknown origin) | 34607244 |
| Unchecked | IC50 | = | 20.0 | nM | 7.7 | Inhibition of N-terminal 6-His tagged human recombinant GSK3-beta H355L mutant u... | 36950863 |
| Microtubule-associated protein tau | IC50 | = | 660.0 | nM | 6.18 | Inhibition of Tau (unknown origin) phosphorylation | 34607244 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34607244 | 10.1016/j.ejmech.2021.113867 | Glycogen synthase kinase-3 alpha | 1 |
| 34607244 | 10.1016/j.ejmech.2021.113867 | Glycogen synthase kinase-3 beta | 1 |
| 34607244 | 10.1016/j.ejmech.2021.113867 | Microtubule-associated protein tau | 1 |
| 36950863 | 10.1021/acs.jmedchem.3c00133 | Unchecked | 1 |
| 36950863 | 10.1021/acs.jmedchem.3c00133 | Glycogen synthase kinase-3 alpha | 1 |
Data from ChEMBL 36 via Core Engine