Compound Detail
CHEMBL4571524
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Basic Information
| ChEMBL ID | CHEMBL4571524 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SZUQKHSPWPMWMA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
425.9
MW (Da)
4.76
ALogP
5
HBA
1
HBD
81.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lactoylglutathione lyase CHEMBL2424 | IC50 | 6.23 | 6.23 | 590.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lactoylglutathione lyase | IC50 | = | 590.0 | nM | 6.23 | Inhibition recombinant human N-terminal 6His-tagged GLO1 (2 to 184 residues) exp... | 30628789 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30628789 | 10.1021/acs.jmedchem.8b01868 | Lactoylglutathione lyase | 1 |
Data from ChEMBL 36 via Core Engine