Compound Detail
CHEMBL1801613
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Basic Information
| ChEMBL ID | CHEMBL1801613 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROAVTVXTYFSQEA-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1851811 |
| Active Moiety | CHEMBL1851811 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
214.1
MW (Da)
1.59
ALogP
2
HBA
1
HBD
43.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of GSK3-beta using GS1 as substrate and [gamma-32P]ATP after 20 mins ... | 21500862 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21500862 | 10.1021/jm1016279 | Glycogen synthase kinase-3 beta | 1 |
Data from ChEMBL 36 via Core Engine