Compound Detail
CHEMBL84060
(R,S)-FIDARESTAT Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL84060 |
| Name | (R,S)-FIDARESTAT |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WAAPEIZFCHNLKK-PELKAZGASA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
279.2
MW (Da)
-0.50
ALogP
4
HBA
3
HBD
110.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL1900 | IC50 | 6.24 | 6.24 | 570.0 | 2 |
| Aldo-keto reductase family 1 member B1 CHEMBL2622 | IC50 | 6.24 | 6.24 | 570.0 | 2 |
| Aldo-keto reductase family 1 member A1 CHEMBL4049 | IC50 | 4.75 | 4.75 | 17800.0 | 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 | = | 570.0 | nM | 6.24 | Tested for in vitro inhibition activity against rat Aldose reductase (AR) | 10882376 |
| Aldo-keto reductase family 1 member B1 | IC50 | = | 570.0 | nM | 6.24 | Binding affinity for human Aldose reductase 2 expressed in Escherichia coli | 15317464 |
| Aldo-keto reductase family 1 member B1 | IC50 | = | 570.0 | nM | 6.24 | Inhibitory concentration against rat ALR2 aldose reductase | 16107153 |
| Aldo-keto reductase family 1 member B1 | IC50 | = | 570.0 | nM | 6.24 | Inhibition of aldose reductase | 17870536 |
| Aldo-keto reductase family 1 member A1 | IC50 | = | 17800.0 | nM | 4.75 | Inhibitory concentration against porcine ALR1 Aldehyde reductase using DL-glycer... | 16107153 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10882376 | 10.1021/jm990502r | Aldo-keto reductase family 1 member B1 | 1 |
| 15317464 | 10.1021/jm0497794 | Aldo-keto reductase family 1 member B1 | 1 |
| 16107153 | 10.1021/jm050412o | Aldo-keto reductase family 1 member A1 | 1 |
| 16107153 | 10.1021/jm050412o | Aldo-keto reductase family 1 member B1 | 1 |
| 17870536 | 10.1016/j.bmc.2007.08.019 | Aldo-keto reductase family 1 member B1 | 1 |
Data from ChEMBL 36 via Core Engine