Compound Detail
CHEMBL1830063
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Basic Information
| ChEMBL ID | CHEMBL1830063 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DELRXTMEZKHWMU-YPKPFQOOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
341.2
MW (Da)
3.42
ALogP
3
HBA
2
HBD
58.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 4.0 | nM | 8.4 | Competitive inhibition of glycogen synthase kinase-3 beta (unknown origin) using... | 26562543 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27726390 | 10.1021/acs.jnatprod.6b00285 | KCL-22 | 2 |
| 26562543 | 10.1016/j.ejmech.2015.10.018 | Glycogen synthase kinase-3 beta | 1 |
| 28743492 | 10.1016/j.bmc.2017.07.009 | HepG2 | 1 |
| 29122482 | 10.1016/j.bmcl.2017.10.069 | HT-22 | 1 |
Data from ChEMBL 36 via Core Engine