Compound Detail
CHEMBL2313736
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Basic Information
| ChEMBL ID | CHEMBL2313736 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UWUQKNFZVRMLME-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
442.5
MW (Da)
3.67
ALogP
5
HBA
2
HBD
79.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Albumin CHEMBL3728 | IC50 | 5.39 | 5.39 | 4100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Albumin | IC50 | = | 4100.0 | nM | 5.39 | Inhibition of glycation of bovine serum albumin assessed as advanced glycated en... | 23314045 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23314045 | 10.1016/j.ejmech.2012.12.029 | Albumin | 1 |
Data from ChEMBL 36 via Core Engine