Compound Detail
CHEMBL1669734
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Basic Information
| ChEMBL ID | CHEMBL1669734 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IFWNPTXNTNCGTO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
223.2
MW (Da)
1.75
ALogP
5
HBA
0
HBD
90.4
PSA (Ų)
0.25
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lactoylglutathione lyase CHEMBL2424 | Ki | 4.57 | 4.57 | 27000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lactoylglutathione lyase | Ki | = | 27000.0 | nM | 4.57 | Inhibition of human recombinant His-tagged glyoxalase 1 expressed in Escherichia... | 21237663 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21237663 | 10.1016/j.bmc.2010.12.039 | Lactoylglutathione lyase | 1 |
Data from ChEMBL 36 via Core Engine