Compound Detail
CHEMBL5083185
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Basic Information
| ChEMBL ID | CHEMBL5083185 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FYYNKOITNXLIQZ-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
343.8
MW (Da)
4.62
ALogP
3
HBA
0
HBD
37.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| NB-4 CHEMBL614188 | IC50 | 4.47 | 4.47 | 33840.0 | 1 |
| Raji CHEMBL614628 | IC50 | 4.3 | 4.3 | 50390.0 | 1 |
| MOLT-4 CHEMBL614177 | IC50 | 4.09 | 4.09 | 80270.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 4.04 | 4.04 | 91430.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of recombinant human GSK-3beta using GS-2 peptide as substrate incuba... | 34027661 |
| NB-4 | IC50 | = | 33840.0 | nM | 4.47 | Cytotoxicity against human NB-4 cells assessed as reduction in cell viability me... | 34027661 |
| Raji | IC50 | = | 50390.0 | nM | 4.3 | Cytotoxicity against human Raji cells assessed as reduction in cell viability me... | 34027661 |
| MOLT-4 | IC50 | = | 80270.0 | nM | 4.09 | Cytotoxicity against human MOLT-4 cells assessed as reduction in cell viability ... | 34027661 |
| HL-60 | IC50 | = | 91430.0 | nM | 4.04 | 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 |
| 34027661 | 10.1021/acs.jmedchem.0c02254 | Glycogen synthase kinase-3 alpha | 1 |
Data from ChEMBL 36 via Core Engine