Compound Detail
CHEMBL1947111
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1947111 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTUJPRKMJLGOIM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
283.2
MW (Da)
2.54
ALogP
5
HBA
4
HBD
106.7
PSA (Ų)
0.29
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 CHEMBL2366565 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL5508 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of porcine brain GSK3alpha/beta using GS-1 as substrate | 22305342 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of GST-tagged rat recombinant DYRK1A expressed in Escherichia coli us... | 22305342 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22305342 | 10.1016/j.ejmech.2012.01.040 | Glycogen synthase kinase-3 | 1 |
| 22305342 | 10.1016/j.ejmech.2012.01.040 | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 22305342 | 10.1016/j.ejmech.2012.01.040 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
Data from ChEMBL 36 via Core Engine