Compound Detail
CHEMBL475908
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Basic Information
| ChEMBL ID | CHEMBL475908 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NUGPQONICGTVNA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
254.2
MW (Da)
2.87
ALogP
4
HBA
2
HBD
70.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL2622 | IC50 | 5.78 | 5.78 | 1659.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 | IC50 | = | 1659.59 | nM | 5.78 | Inhibition of rat lens aldose reductase | 18585047 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19807106 | 10.1021/jm900964r | Peroxisome proliferator-activated receptor gamma | 2 |
| 19807106 | 10.1021/jm900964r | Peroxisome proliferator-activated receptor alpha | 2 |
| 23265844 | 10.1016/j.bmc.2012.11.040 | Peroxisome proliferator-activated receptor delta | 2 |
| 18158201 | 10.1016/j.ejmech.2007.11.009 | Unchecked | 1 |
| 18585047 | 10.1016/j.bmc.2008.06.004 | Aldo-keto reductase family 1 member B1 | 1 |
Data from ChEMBL 36 via Core Engine