Compound Detail
CHEMBL106072
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Basic Information
| ChEMBL ID | CHEMBL106072 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MBUPVGIGAMCMBT-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
244.0
MW (Da)
2.17
ALogP
3
HBA
0
HBD
60.2
PSA (Ų)
0.35
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.7
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 5.7 | 5.7 | 2000.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 5.38 | 5.33 | 4120.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 2000.0 | nM | 5.7 | Inhibitory activity against glycogen synthase kinase-3 (GSK-3beta). | 14561081 |
| Glycogen synthase kinase-3 beta | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of GSK3-beta using GS1 as substrate and [gamma-32P]ATP after 20 mins ... | 21500862 |
| Glycogen synthase kinase-3 beta | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of glycogen synthase kinase-3 beta (unknown origin) using GS-1 as sub... | 26562543 |
| Unchecked | IC50 | = | 4120.0 | nM | 5.38 | Inhibition of Staphylococcus aureus MurA expressed in Escherichia coli using UNA... | 30321804 |
| Unchecked | IC50 | = | 5300.0 | nM | 5.28 | Inhibition of Escherichia coli MurA using UNAG and PEP as substrate preincubated... | 30321804 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30321804 | 10.1016/j.ejmech.2018.10.010 | Unchecked | 6 |
| 12372498 | 10.1016/s0960-894x(02)00681-9 | Tyrosine-protein phosphatase non-receptor type 1 | 3 |
| 30321804 | 10.1016/j.ejmech.2018.10.010 | Cathepsin B | 2 |
| 14561081 | 10.1021/jm034108b | Glycogen synthase kinase-3 beta | 1 |
| 21500862 | 10.1021/jm1016279 | Glycogen synthase kinase-3 beta | 1 |
| 26562543 | 10.1016/j.ejmech.2015.10.018 | Glycogen synthase kinase-3 beta | 1 |
Data from ChEMBL 36 via Core Engine