Compound Detail
CHEMBL4584432
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Basic Information
| ChEMBL ID | CHEMBL4584432 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BGSIXQHNQUBHAX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
290.3
MW (Da)
2.91
ALogP
5
HBA
4
HBD
107.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lactoylglutathione lyase CHEMBL2175 | Ki | 6.82 | 6.82 | 150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lactoylglutathione lyase | Ki | = | 150.0 | nM | 6.82 | Competitive inhibition of recombinant mouse His-tagged Glyoxalase-1 using GSH an... | 31879183 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31879183 | 10.1016/j.bmc.2019.115243 | Lactoylglutathione lyase | 1 |
Data from ChEMBL 36 via Core Engine