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Compound Detail

CHEMBL84446

FIDARESTAT
🧪 Phase II
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🧪 Phase II
NC(=O)[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(F)ccc2O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL84446
Name FIDARESTAT
Phase Phase II
Structure Type MOL
InChI Key WAAPEIZFCHNLKK-UFBFGSQYSA-N

Known Names

Aldos Fidarestat
5
Targets
15
Activities
1
Assay Types
0
PK Parameters
14
Publications
2
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
Chirality Single Enantiomer
USAN Stem -stat

Extended Properties

Molecular Formula C12H10FN3O4
MW 279.23
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.40

Activity Summary

IC50 15 meas. best 8.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Aldo-keto reductase family 1 member B1
CHEMBL1900
 IC50 8.05 7.8057 9.0 7
Aldo-keto reductase family 1 member B1
CHEMBL2622
 IC50 7.54 7.5 29.0 4
Aldo-keto reductase family 1 member A1
CHEMBL2246
 IC50 5.92 5.92 1200.0 2
Aldo-keto reductase family 1 member A1
CHEMBL4049
 IC50 5.6 5.6 2500.0 1
Aldo-keto reductase family 1 member B1
CHEMBL4559
 IC50 5.6 5.6 2500.0 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 = 9.0 nM 8.05 Tested for in vitro inhibition activity against human Aldose reductase (human AR... 10882376
Aldo-keto reductase family 1 member B1 IC50 = 9.0 nM 8.05 Inhibitory concentration against human ALR2 16107153
Aldo-keto reductase family 1 member B1 IC50 = 9.0 nM 8.05 Inhibitory concentration against human aldose reductase 16134934
Aldo-keto reductase family 1 member B1 IC50 = 9.0 nM 8.05 Inhibition of human recombinant aldose reductase 18165015
Aldo-keto reductase family 1 member B1 IC50 = 29.0 nM 7.54 Inhibition of Wistar rat lenses ALR2 by spectrophotometry 21062005
Aldo-keto reductase family 1 member B1 IC50 = 29.0 nM 7.54 Inhibition of Wistar rat lens aldose reductase 2 by spectrophotometric analysis 21367494
Aldo-keto reductase family 1 member B1 IC50 = 30.0 nM 7.52 Binding affinity for human Aldose reductase 2 expressed in Escherichia coli 15317464
Aldo-keto reductase family 1 member B1 IC50 = 35.0 nM 7.46 Tested for in vitro inhibition activity against rat Aldose reductase (AR) 10882376
Aldo-keto reductase family 1 member B1 IC50 = 35.0 nM 7.46 Inhibitory activity against aldose reductase enzyme 12540241
Aldo-keto reductase family 1 member B1 IC50 = 35.0 nM 7.46 Inhibitory concentration against rat ALR2 aldose reductase 16107153
Aldo-keto reductase family 1 member B1 IC50 = 35.0 nM 7.46 Inhibition of aldose reductase 17870536
Aldo-keto reductase family 1 member A1 IC50 = 1200.0 nM 5.92 Tested for in vitro inhibition activity against human aldehyde reductase (AHR) 10882376
Aldo-keto reductase family 1 member A1 IC50 = 1200.0 nM 5.92 Inhibitory concentration against human ALR1 Aldehyde reductase using DL-glyceral... 16107153
Aldo-keto reductase family 1 member A1 IC50 = 2500.0 nM 5.6 Inhibitory concentration against porcine ALR1 Aldehyde reductase using DL-glycer... 16107153
Aldo-keto reductase family 1 member B1 IC50 = 2500.0 nM 5.6 Inhibitory concentration against porcine aldose reductase 16134934

Literature References

PubMed DOI Target Context # Activities
16134934 10.1021/jm050424+ Aldo-keto reductase family 1 member B1 4
10882376 10.1021/jm990502r Aldo-keto reductase family 1 member B1 2
16107153 10.1021/jm050412o Aldo-keto reductase family 1 member A1 2
16107153 10.1021/jm050412o Aldo-keto reductase family 1 member B1 2
21062005 10.1021/jm100962a Aldo-keto reductase family 1 member B1 2
21062005 10.1021/jm100962a Rattus norvegicus 2
21367494 10.1016/j.ejmech.2011.01.072 Aldo-keto reductase family 1 member B1 2
10882376 10.1021/jm990502r Aldo-keto reductase family 1 member A1 1
12540241 10.1021/jm0209477 Aldo-keto reductase family 1 member B1 1
15317464 10.1021/jm0497794 Aldo-keto reductase family 1 member B1 1
17870536 10.1016/j.bmc.2007.08.019 Aldo-keto reductase family 1 member B1 1
18165015 10.1016/j.bmc.2007.12.016 Aldo-keto reductase family 1 member B1 1
18165015 10.1016/j.bmc.2007.12.016 Aldo-keto reductase family 1 member C21 1
27639366 10.1016/j.ejmech.2016.08.070 Molecular identity unknown 1

Data from ChEMBL 36 via Core Engine