Compound Detail
CHEMBL232380
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Basic Information
| ChEMBL ID | CHEMBL232380 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KAICHBSRWFIESE-UITAMQMPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
251.3
MW (Da)
1.72
ALogP
5
HBA
2
HBD
75.6
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 5.22 | 5.22 | 6010.0 | 1 |
| Aldo-keto reductase family 1 member B1 CHEMBL3081 | IC50 | 4.93 | 4.93 | 11800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 6010.0 | nM | 5.22 | Inhibition of GSK3beta (unknown origin) using GS-2 peptide substrate incubated f... | 30078314 |
| Aldo-keto reductase family 1 member B1 | IC50 | = | 11800.0 | nM | 4.93 | Inhibition of bovine aldose reductase | 17512196 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22077389 | 10.1021/jm201243p | Unchecked | 3 |
| 30078314 | 10.1021/acs.jmedchem.8b00610 | Glycogen synthase kinase-3 beta | 2 |
| 17512196 | 10.1016/j.bmcl.2007.04.109 | Aldo-keto reductase family 1 member B1 | 1 |
| 19904929 | 10.1021/jm901183d | RAW264.7 | 1 |
| 22077389 | 10.1021/jm201243p | Prothrombin | 1 |
| 22301213 | 10.1016/j.ejmech.2012.01.019 | Tyrosinase | 1 |
Data from ChEMBL 36 via Core Engine