Compound Detail
CHEMBL5091798
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Basic Information
| ChEMBL ID | CHEMBL5091798 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XRYOWAJCHNUZCO-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
233.3
MW (Da)
2.23
ALogP
3
HBA
0
HBD
37.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
| NB-4 CHEMBL614188 | IC50 | 4.65 | 4.65 | 22370.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 4.35 | 4.35 | 44760.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 17000.0 | nM | 4.77 | Inhibition of recombinant human GSK-3beta using GS-2 peptide as substrate incuba... | 34027661 |
| NB-4 | IC50 | = | 22370.0 | nM | 4.65 | Cytotoxicity against human NB-4 cells assessed as reduction in cell viability me... | 34027661 |
| HL-60 | IC50 | = | 44760.0 | nM | 4.35 | Cytotoxicity against human HL-60 cells assessed as reduction in cell viability m... | 34027661 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34027661 | 10.1021/acs.jmedchem.0c02254 | Glycogen synthase kinase-3 beta | 1 |
| 34027661 | 10.1021/acs.jmedchem.0c02254 | NB-4 | 1 |
| 34027661 | 10.1021/acs.jmedchem.0c02254 | MOLT-4 | 1 |
| 34027661 | 10.1021/acs.jmedchem.0c02254 | HL-60 | 1 |
| 34027661 | 10.1021/acs.jmedchem.0c02254 | Raji | 1 |
Data from ChEMBL 36 via Core Engine