Compound Detail
CHEMBL337642
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Basic Information
| ChEMBL ID | CHEMBL337642 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GJJAFPBCJBFVII-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
531.6
MW (Da)
2.03
ALogP
10
HBA
1
HBD
118.7
PSA (Ų)
0.34
QED
1
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.47
EC50 1 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 7.47 | 7.395 | 34.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 6.41 | 6.41 | 390.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 34.0 | nM | 7.47 | Inhibition of GSK3-beta | 15559249 |
| Glycogen synthase kinase-3 beta | IC50 | = | 48.0 | nM | 7.32 | Inhibition of Glycogen synthase kinase-3beta (GSK3-beta) | 12954055 |
| Unchecked | EC50 | = | 390.0 | nM | 6.41 | Increased glycogen synthase activity in HEK293 cells | 12954055 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12954055 | 10.1021/jm030115o | Unchecked | 6 |
| 12954055 | 10.1021/jm030115o | Mitogen-activated protein kinase 1 | 3 |
| 12954055 | 10.1021/jm030115o | Glycogen synthase kinase-3 beta | 2 |
| 12954055 | 10.1021/jm030115o | Protein kinase C gamma type | 2 |
| 12954055 | 10.1021/jm030115o | Protein kinase C alpha type | 2 |
| 12954055 | 10.1021/jm030115o | Protein kinase C beta type | 2 |
| 12954055 | 10.1021/jm030115o | Protein kinase C theta type | 2 |
| 12954055 | 10.1021/jm030115o | CaM kinase II | 2 |
| 15559249 | 10.1016/j.tips.2004.07.006 | Glycogen synthase kinase-3 beta | 1 |
| 12954055 | 10.1021/jm030115o | Mitogen-activated protein kinase 9 | 1 |
| 12954055 | 10.1021/jm030115o | Mitogen-activated protein kinase 10 | 1 |
| 12954055 | 10.1021/jm030115o | MAP kinase-activated protein kinase 2 | 1 |
| 12954055 | 10.1021/jm030115o | Dual specificity mitogen-activated protein kinase kinase 6 | 1 |
| 12954055 | 10.1021/jm030115o | Ribosomal protein S6 kinase (P70S6K) | 1 |
| 12954055 | 10.1021/jm030115o | 3-phosphoinositide-dependent protein kinase 1 | 1 |
| 12954055 | 10.1021/jm030115o | MAP kinase-activated protein kinase 5 | 1 |
| 12954055 | 10.1021/jm030115o | Mitogen-activated protein kinase 8 | 1 |
| 12954055 | 10.1021/jm030115o | Serine/threonine-protein kinase N2 | 1 |
| 12954055 | 10.1021/jm030115o | Mitogen-activated protein kinase 11 | 1 |
| 12954055 | 10.1021/jm030115o | Cyclin-dependent kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine