Compound Detail
CHEMBL564033
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Basic Information
| ChEMBL ID | CHEMBL564033 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UQOPLFRRDTXROR-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
470.5
MW (Da)
2.21
ALogP
8
HBA
1
HBD
94.3
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 6.47 | 6.295 | 340.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.22 | 5.22 | 5950.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 340.0 | nM | 6.47 | Inhibition of GST-tagged GSK3beta (unknown origin) expressed in Escherichia coli... | 27689729 |
| Glycogen synthase kinase-3 beta | IC50 | = | 750.0 | nM | 6.12 | Inhibition of recombinant GST-tagged GSK-3beta (unknown origin) expressed in Esc... | 23994329 |
| Unchecked | IC50 | = | 5950.0 | nM | 5.22 | Inhibition of PKC by PegTag assay | 19447039 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23994329 | 10.1016/j.ejmech.2013.07.046 | Glycogen synthase kinase-3 beta | 2 |
| 19447039 | 10.1016/j.bmc.2009.04.043 | K562 | 1 |
| 19447039 | 10.1016/j.bmc.2009.04.043 | A549 | 1 |
| 19447039 | 10.1016/j.bmc.2009.04.043 | NON-PROTEIN TARGET | 1 |
| 19447039 | 10.1016/j.bmc.2009.04.043 | KB | 1 |
| 19447039 | 10.1016/j.bmc.2009.04.043 | SMMC-7721 | 1 |
| 19447039 | 10.1016/j.bmc.2009.04.043 | Unchecked | 1 |
| 27689729 | 10.1016/j.ejmech.2016.09.058 | Glycogen synthase kinase-3 beta | 1 |
| 30600148 | 10.1016/j.bmc.2018.12.029 | Isocitrate dehydrogenase [NADP] cytoplasmic | 1 |
Data from ChEMBL 36 via Core Engine