Compound Detail
CHEMBL340776
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Basic Information
| ChEMBL ID | CHEMBL340776 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | POFRSIZMPZFXPB-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
487.5
MW (Da)
2.02
ALogP
9
HBA
1
HBD
109.5
PSA (Ų)
0.38
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.77
EC50 1 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.77 | 7.62 | 17.0 | 2 |
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 7.47 | 7.47 | 34.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 7.22 | 7.22 | 60.0 | 1 |
| Protein kinase C beta type CHEMBL3045 | IC50 | 5.93 | 5.93 | 1163.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 17.0 | nM | 7.77 | Inhibition of recombinant rabbit GSK-3beta assessed as decrease in PPI-2 phospho... | 29306837 |
| Glycogen synthase kinase-3 beta | IC50 | = | 34.0 | nM | 7.47 | Inhibition of Glycogen synthase kinase-3beta (GSK3-beta) | 12954055 |
| Unchecked | IC50 | = | 34.0 | nM | 7.47 | Inhibition of rabbit GSK-3beta using PPI-2 as substrate | 30026041 |
| Unchecked | EC50 | = | 60.0 | nM | 7.22 | Increased glycogen synthase activity in HEK293 cells | 12954055 |
| Protein kinase C beta type | IC50 | = | 1163.0 | nM | 5.93 | Inhibition of Protein kinase C beta 2 | 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 |
| 30026041 | 10.1016/j.bmc.2018.07.012 | Unchecked | 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