Compound Detail
CHEMBL2179074
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Basic Information
| ChEMBL ID | CHEMBL2179074 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZNAYQMLUMSHALT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
507.5
MW (Da)
7.58
ALogP
5
HBA
1
HBD
50.3
PSA (Ų)
0.24
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Advanced glycosylation end product-specific receptor CHEMBL2176846 | IC50 | 5.34 | 5.34 | 4600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Advanced glycosylation end product-specific receptor | IC50 | = | 4600.0 | nM | 5.34 | Inhibition of human recombinant biotinylated receptor for advanced glycation end... | 22742537 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22742537 | 10.1021/jm300172z | Advanced glycosylation end product-specific receptor | 3 |
| 22742537 | 10.1021/jm300172z | Mus musculus | 2 |
| 22742537 | 10.1021/jm300172z | C6 | 1 |
Data from ChEMBL 36 via Core Engine