Compound Detail
CHEMBL4582717
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Basic Information
| ChEMBL ID | CHEMBL4582717 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | APZZKINGXHIXCI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
3.61
ALogP
3
HBA
1
HBD
59.1
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lactoylglutathione lyase CHEMBL2424 | IC50 | 5.34 | 5.34 | 4600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lactoylglutathione lyase | IC50 | = | 4600.0 | nM | 5.34 | 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