Compound Detail
CHEMBL3110134
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Basic Information
| ChEMBL ID | CHEMBL3110134 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNLKEQIVUDXUTG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
302.3
MW (Da)
2.16
ALogP
5
HBA
1
HBD
68.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 5.77 | 5.77 | 1690.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 1690.0 | nM | 5.77 | Inhibition of GSK-3beta (unknown origin) using (RREGGMSRPAS(p)VDG as substrate a... | 24295046 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24295046 | 10.1021/jm401466v | Glycogen synthase kinase-3 beta | 1 |
Data from ChEMBL 36 via Core Engine