Compound Detail
CHEMBL4849247
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 | CHEMBL4849247 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACRYPFBNYMEDTL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
309.3
MW (Da)
2.85
ALogP
4
HBA
2
HBD
84.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 7.16 | 7.155 | 70.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 70.0 | nM | 7.16 | Inhibition of GSK3-beta (unknown origin) incubated for 60 mins by ATP-Glo lumine... | 34995924 |
| Glycogen synthase kinase-3 beta | IC50 | = | 71.0 | nM | 7.15 | Inhibition of human full length GSK3beta expressed in baculovirus in Sf9 insect ... | 34098466 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34098466 | 10.1016/j.ejmech.2021.113554 | Glycogen synthase kinase-3 beta | 7 |
| 34098466 | 10.1016/j.ejmech.2021.113554 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 3 |
| 34098466 | 10.1016/j.ejmech.2021.113554 | ADMET | 3 |
| 34098466 | 10.1016/j.ejmech.2021.113554 | Mus musculus | 3 |
| 34098466 | 10.1016/j.ejmech.2021.113554 | L02 | 1 |
| 34098466 | 10.1016/j.ejmech.2021.113554 | Unchecked | 1 |
| 34995924 | 10.1016/j.ejmech.2021.114095 | Acetylcholinesterase | 1 |
| 34995924 | 10.1016/j.ejmech.2021.114095 | Cholinesterase | 1 |
| 34995924 | 10.1016/j.ejmech.2021.114095 | Glycogen synthase kinase-3 beta | 1 |
Data from ChEMBL 36 via Core Engine