Compound Detail

CHEMBL273910

MINALRESTAT

🧪 Phase II

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🧪 Phase II

O=C1CC2(C(=O)N1)C(=O)N(Cc1ccc(Br)cc1F)C(=O)c1ccc(F)cc12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL273910
Name	MINALRESTAT
Phase	Phase II
Structure Type	MOL
InChI Key	BMHZAHGTGIZZCT-UHFFFAOYSA-N

Minalrestat WAY-ARI-509

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

449.2

MW (Da)

2.19

ALogP

HBA

HBD

83.5

PSA (Å²)

0.56

QED

Ro5 Violations

Rot. Bonds

Molecule Type	Small molecule
Chirality	Racemic

USAN Stem	-stat
USAN Year	1996

IC50 11 meas. best 8.17

Ki 1 meas. best 4.98

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Aldo-keto reductase family 1 member A1 CHEMBL2246	IC50	8.17	8.17	6.7	1
Aldo-keto reductase family 1 member B1 CHEMBL1900	IC50	7.91	7.4525	12.2	4
Aldo-keto reductase family 1 member B1 CHEMBL3081	IC50	7.85	7.85	14.0	1
Unchecked CHEMBL612545	IC50	7.57	7.06	26.9	2
Aldo-keto reductase family 1 member A1 CHEMBL4049	IC50	7.4	7.4	40.0	1
Aldo-keto reductase family 1 member B10 CHEMBL5983	IC50	6.13	6.13	740.0	1
Aldo-keto reductase family 1 member C21 CHEMBL1075270	Ki	4.98	4.98	10400.0	1
Aldo-keto reductase family 1 member C21 CHEMBL1075270	IC50	4.56	4.56	27500.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Aldo-keto reductase family 1 member A1	IC50	=	6.7	nM	8.17	Inhibition of N-terminal 6His-tagged human aldehyde reductase expressed in Esche...	20304656
Aldo-keto reductase family 1 member B1	IC50	=	12.2	nM	7.91	Compound was evaluated In vitro for inhibition of aldose reductase activity by 5...	8027986
Aldo-keto reductase family 1 member B1	IC50	=	14.0	nM	7.85	In vitro inhibition of aldose reductase activity in a partially purified bovine ...	8027986
Aldo-keto reductase family 1 member B1	IC50	=	25.0	nM	7.6	Inhibition of N-terminal 6His-tagged human aldose reductase expressed in Escheri...	20304656
Unchecked	IC50	=	26.9	nM	7.57	Compound was evaluated In vitro for inhibition of aldose reductase activity by 5...	8027986
Aldo-keto reductase family 1 member A1	IC50	=	40.0	nM	7.4	Inhibition of pig ALR1	19121944
Aldo-keto reductase family 1 member B1	IC50	=	70.0	nM	7.16	Inhibition of human recombinant aldose reductase	18165015
Aldo-keto reductase family 1 member B1	IC50	=	73.0	nM	7.14	Inhibition of aldose reductase	17870536
Unchecked	IC50	=	280.0	nM	6.55	Inhibition of human recombinant ALR2 expressed in bacterial cell expression syst...	19121944
Aldo-keto reductase family 1 member B10	IC50	=	740.0	nM	6.13	Inhibition of reductase activity of N-terminal 6His-tagged AKR1B10 expressed in ...	20304656
Aldo-keto reductase family 1 member C21	Ki	=	10400.0	nM	4.98	Inhibition of mouse recombinant AKR1C21	18165015
Aldo-keto reductase family 1 member C21	IC50	=	27500.0	nM	4.56	Inhibition of mouse recombinant AKR1C21	18165015

PubMed	DOI	Target Context	# Activities
8027986	10.1021/jm00039a017	Rattus norvegicus	12
19121944	10.1016/j.bmc.2008.12.024	Unchecked	3
20304656	10.1016/j.bmc.2010.02.050	Unchecked	3
8027986	10.1021/jm00039a017	Aldo-keto reductase family 1 member B1	2
18165015	10.1016/j.bmc.2007.12.016	Aldo-keto reductase family 1 member C21	2
19121944	10.1016/j.bmc.2008.12.024	Aldo-keto reductase family 1 member A1	2
8027986	10.1021/jm00039a017	Unchecked	1
8027986	10.1021/jm00039a017	No relevant target	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
20304656	10.1016/j.bmc.2010.02.050	Aldo-keto reductase family 1 member B10	1
20304656	10.1016/j.bmc.2010.02.050	Aldo-keto reductase family 1 member B1	1
20304656	10.1016/j.bmc.2010.02.050	Aldo-keto reductase family 1 member A1	1

Data from ChEMBL 36 via Core Engine