Compound Detail
CHEMBL160586
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Basic Information
| ChEMBL ID | CHEMBL160586 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IGCCKDSIYZVXOF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
387.7
MW (Da)
2.43
ALogP
6
HBA
3
HBD
138.6
PSA (Ų)
0.41
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| Glycogen synthase kinase-3 alpha CHEMBL2850 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 alpha | IC50 | = | 28.0 | nM | 7.55 | Inhibition of human Glycogen synthase kinase-3 alpha | 11266159 |
| Glycogen synthase kinase-3 beta | IC50 | = | 28.0 | nM | 7.55 | Inhibition of recombinant GSK3-beta | 18324764 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11266159 | 10.1016/s0960-894x(00)00721-6 | Unchecked | 3 |
| 11266159 | 10.1016/s0960-894x(00)00721-6 | Ribosomal protein S6 kinase beta-1 | 1 |
| 18324764 | 10.1021/jm7009765 | Glycogen synthase kinase-3 beta | 1 |
| 11266159 | 10.1016/s0960-894x(00)00721-6 | Mitogen-activated protein kinase 13 | 1 |
| 11266159 | 10.1016/s0960-894x(00)00721-6 | Mitogen-activated protein kinase 12 | 1 |
| 11266159 | 10.1016/s0960-894x(00)00721-6 | Mitogen-activated protein kinase 11 | 1 |
| 11266159 | 10.1016/s0960-894x(00)00721-6 | Mitogen-activated protein kinase 14 | 1 |
| 11266159 | 10.1016/s0960-894x(00)00721-6 | Rho-associated protein kinase 2 | 1 |
| 11266159 | 10.1016/s0960-894x(00)00721-6 | MAP kinase-activated protein kinase 5 | 1 |
| 11266159 | 10.1016/s0960-894x(00)00721-6 | Protein kinase C alpha type | 1 |
| 11266159 | 10.1016/s0960-894x(00)00721-6 | RAC-beta serine/threonine-protein kinase | 1 |
| 11266159 | 10.1016/s0960-894x(00)00721-6 | 3-phosphoinositide-dependent protein kinase 1 | 1 |
| 11266159 | 10.1016/s0960-894x(00)00721-6 | Ribosomal protein S6 kinase alpha-5 | 1 |
| 11266159 | 10.1016/s0960-894x(00)00721-6 | Dual specificity mitogen-activated protein kinase kinase 1 | 1 |
| 11266159 | 10.1016/s0960-894x(00)00721-6 | MAP kinase-activated protein kinase 2 | 1 |
| 11266159 | 10.1016/s0960-894x(00)00721-6 | Ribosomal protein S6 kinase beta-2 | 1 |
| 11266159 | 10.1016/s0960-894x(00)00721-6 | Mitogen-activated protein kinase; ERK1/ERK2 | 1 |
| 11266159 | 10.1016/s0960-894x(00)00721-6 | Tyrosine-protein kinase Lck | 1 |
| 11266159 | 10.1016/s0960-894x(00)00721-6 | c-Jun N-terminal kinase, JNK | 1 |
| 11266159 | 10.1016/s0960-894x(00)00721-6 | Casein kinase II | 1 |
Data from ChEMBL 36 via Core Engine