Compound Detail
CHEMBL292887
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Basic Information
| ChEMBL ID | CHEMBL292887 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YREIRIKJAMPPHC-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
307.2
MW (Da)
-0.03
ALogP
6
HBA
1
HBD
138.1
PSA (Ų)
0.35
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL2622 | IC50 | 7.21 | 6.3275 | 62.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 | IC50 | = | 62.0 | nM | 7.21 | Inhibitory activity against rat lens aldose reductase(AR). | 9057855 |
| Aldo-keto reductase family 1 member B1 | IC50 | = | 62.0 | nM | 7.21 | In vitro inhibitory activity against partially purified rat lens Aldose reductas... | 8627616 |
| Aldo-keto reductase family 1 member B1 | IC50 | = | 130.0 | nM | 6.89 | In vitro inhibitory activity against rat lens Aldose reductase, for experiment 1 | 8627616 |
| Aldo-keto reductase family 1 member B1 | IC50 | = | 100000.0 | nM | 4.0 | In vitro inhibitory activity against rat kidney Aldehyde reductase, for experime... | 8627616 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8627616 | 10.1021/jm9508393 | Aldo-keto reductase family 1 member B1 | 5 |
| 9057855 | 10.1021/jm960594+ | Aldo-keto reductase family 1 member A1 | 2 |
| 8627616 | 10.1021/jm9508393 | Unchecked | 2 |
| 9057855 | 10.1021/jm960594+ | Aldo-keto reductase family 1 member B1 | 1 |
| 9057855 | 10.1021/jm960594+ | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine