Compound Detail
CHEMBL140061
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Basic Information
| ChEMBL ID | CHEMBL140061 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLAYZKKEOIAALB-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
233.5
MW (Da)
2.92
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 6.0 | 6.0 | 1000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 1000.0 | nM | 6.0 | Inhibitory activity against glycogen synthase kinase-3 (GSK-3beta). | 14561081 |
| Glycogen synthase kinase-3 beta | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of GSK3-beta using GS1 as substrate and [gamma-32P]ATP after 20 mins ... | 21500862 |
| Glycogen synthase kinase-3 beta | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of glycogen synthase kinase-3 beta (unknown origin) using GS-1 as sub... | 26562543 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26220519 | 10.1016/j.bmc.2015.06.066 | DNA (cytosine-5)-methyltransferase 3A | 2 |
| 14561081 | 10.1021/jm034108b | Glycogen synthase kinase-3 beta | 1 |
| 14561081 | 10.1021/jm034108b | cAMP-dependent protein kinase (PKA) | 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