Compound Detail
CHEMBL1095743
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Basic Information
| ChEMBL ID | CHEMBL1095743 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VEEBHNOPVSLEHX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
236.3
MW (Da)
1.91
ALogP
3
HBA
1
HBD
59.1
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lactoylglutathione lyase CHEMBL2424 | IC50 | 4.37 | 4.37 | 43000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lactoylglutathione lyase | IC50 | = | 43000.0 | nM | 4.37 | Inhibition recombinant human N-terminal 6His-tagged GLO1 (2 to 184 residues) exp... | 30628789 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20363627 | 10.1016/j.bmcl.2010.03.061 | Serine/threonine-protein kinase pim-1 | 2 |
| 30628789 | 10.1021/acs.jmedchem.8b01868 | Lactoylglutathione lyase | 1 |
Data from ChEMBL 36 via Core Engine