Compound Detail
CHEMBL1234300
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Basic Information
| ChEMBL ID | CHEMBL1234300 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BLXSEOJIXHWXQJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
304.3
MW (Da)
3.00
ALogP
6
HBA
3
HBD
96.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lactoylglutathione lyase CHEMBL2175 | Ki | 6.64 | 6.64 | 230.0 | 1 |
| Lactoylglutathione lyase CHEMBL2424 | Ki | 6.64 | 6.64 | 230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lactoylglutathione lyase | Ki | = | 230.0 | nM | 6.64 | Inhibition of human GLO1 | 30628789 |
| Lactoylglutathione lyase | Ki | = | 230.0 | nM | 6.64 | Competitive inhibition of recombinant mouse His-tagged Glyoxalase-1 using GSH an... | 31879183 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30628789 | 10.1021/acs.jmedchem.8b01868 | Lactoylglutathione lyase | 1 |
| 31879183 | 10.1016/j.bmc.2019.115243 | Lactoylglutathione lyase | 1 |
Data from ChEMBL 36 via Core Engine