Compound Detail
CHEMBL4861930
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Basic Information
| ChEMBL ID | CHEMBL4861930 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RPAZLTQZYXMTQP-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
302.4
MW (Da)
2.76
ALogP
4
HBA
1
HBD
36.4
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 6.99 | 6.71 | 102.0 | 2 |
| Glycogen synthase kinase-3 alpha CHEMBL2850 | IC50 | 6.43 | 6.43 | 370.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 102.0 | nM | 6.99 | Inhibition of human GSK-3beta preincubated for 3 hrs followed by ATP and substra... | 33991821 |
| Glycogen synthase kinase-3 beta | IC50 | = | 370.0 | nM | 6.43 | Inhibition of human GSK-3beta incubated with substrate in presence of ATP measur... | 33991821 |
| Glycogen synthase kinase-3 alpha | IC50 | = | 370.0 | nM | 6.43 | Inhibition of human wild type GSK-3beta incubated with substrate in presence of ... | 33991821 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33991821 | 10.1016/j.bmc.2021.116179 | Glycogen synthase kinase-3 beta | 14 |
| 33991821 | 10.1016/j.bmc.2021.116179 | Dual specificity mitogen-activated protein kinase kinase 1 | 2 |
| 33991821 | 10.1016/j.bmc.2021.116179 | No relevant target | 2 |
| 33991821 | 10.1016/j.bmc.2021.116179 | Dual specificity mitogen-activated protein kinase kinase 2 | 2 |
| 33991821 | 10.1016/j.bmc.2021.116179 | Glycogen synthase kinase-3 alpha | 2 |
| 33991821 | 10.1016/j.bmc.2021.116179 | Vascular endothelial growth factor receptor 3 | 1 |
| 33991821 | 10.1016/j.bmc.2021.116179 | Cyclin-G-associated kinase | 1 |
| 33991821 | 10.1016/j.bmc.2021.116179 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 33991821 | 10.1016/j.bmc.2021.116179 | Vascular endothelial growth factor receptor 2 | 1 |
| 33991821 | 10.1016/j.bmc.2021.116179 | Mast/stem cell growth factor receptor Kit | 1 |
| 33991821 | 10.1016/j.bmc.2021.116179 | Vascular endothelial growth factor receptor 1 | 1 |
| 33991821 | 10.1016/j.bmc.2021.116179 | Cyclin-dependent kinase-like 5 | 1 |
| 33991821 | 10.1016/j.bmc.2021.116179 | Dual specificity mitogen-activated protein kinase kinase 3 | 1 |
| 33991821 | 10.1016/j.bmc.2021.116179 | Dual specificity mitogen-activated protein kinase kinase 4 | 1 |
| 33991821 | 10.1016/j.bmc.2021.116179 | Dual specificity mitogen-activated protein kinase kinase 5 | 1 |
| 33991821 | 10.1016/j.bmc.2021.116179 | Mitogen-activated protein kinase kinase kinase 7 | 1 |
| 33991821 | 10.1016/j.bmc.2021.116179 | Mitogen-activated protein kinase 1 | 1 |
| 33991821 | 10.1016/j.bmc.2021.116179 | Mitogen-activated protein kinase 15 | 1 |
| 33991821 | 10.1016/j.bmc.2021.116179 | Mitogen-activated protein kinase 3 | 1 |
| 33991821 | 10.1016/j.bmc.2021.116179 | MAP kinase-activated protein kinase 5 | 1 |
Data from ChEMBL 36 via Core Engine