Target Poor or Non Binder(s) Information

Target General Information

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Target ID

T44282

Target Info

Target Name

Mitochondrial aldehyde dehydrogenase (ALDH2)

Synonyms

Aldehyde dehydrogenase, mitochondrial; ALDM; ALDHI; ALDH-E2; ALDH class 2

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Target Type

Clinical trial Target

Gene Name

ALDH2

Biochemical Class

Aldehyde/oxo donor oxidoreductase

UniProt ID

P05091

Poor Binders of This Target (in total, 11 binders)

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Compound Name

1-benzyl-1H-indole-2,3-dione

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Investigative

Compound Info

Synonyms

1-Benzyl-1H-indole-2,3-dione; 1217-89-6; 1-benzylisatin; 1-benzylindole-2,3-dione; 1-benzyl-2,3-dihydro-1H-indole-2,3-dione; 1-benzylindoline-2,3-dione; 1-Benzyl-2,3-indolinedione; 1H-indole-2,3-dione, 1-(phenylmethyl)-; 1H-Indole-2,3-dione,1-(phenylmethyl)-; benzylisatin; N-benzylisatin; N-benzyl isatin; 4kwf; NSC100000; AC1Q6FLI; AC1Q6FLG; AC1L6CGC; Isatin-based compound, 14; AC1Q6K6Z; N1-benzyl-indole-2,3-dione; CHEMBL115581; SCHEMBL2087729; BDBM22794; CTK4B2748; DTXSID30295164; SIISFRLGYDVIRG-UHFFFAOYSA-N; MolPort-000-322-417

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Activity

IC50 = 82000 nM

[1]

Compound Name

1-[(4-Methylpiperazin-1-yl)methyl]indole-2,3-dione

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Investigative

Compound Info

Synonyms

CHEMBL467080; CBMicro_016008; SCHEMBL16798648; 1-[(4-methylpiperazin-1-yl)methyl]-1H-indole-2,3-dione; CCG-5171; BDBM50448800; STK123863; ZINC19536481; AKOS000591967; MCULE-1699235951; BIM-0016096.P001; 1-({4-methylpiperazin-1-yl}methyl)indoline-2,3-dione

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Activity

IC50 ~ 100000 nM

[1]

Compound Name

1-[(4-Benzylpiperazin-1-yl)methyl]indole-2,3-dione

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Investigative

Compound Info

Synonyms

CHEMBL3128204; 1-[(4-benzyl-1-piperazinyl)methyl]-1H-indole-2,3-dione; CBDivE_005925; SCHEMBL9096430; 1-(4-Benzyl-piperazin-1-ylmethyl)-1H-indole-2,3-dione; BDBM50448799; STK215552; ZINC19300444; AKOS000520103; MCULE-8921960419; AB00073991-01; AG-205/06033010; 1-({4-benzylpiperazin-1-yl}methyl)indoline-2,3-dione; 1-[(4-benzylpiperazin-1-yl)methyl]-1H-indole-2,3-dione

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Activity

IC50 ~ 100000 nM

[1]

Compound Name

1-[[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5-bromoindole-2,3-dione

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Investigative

Compound Info

Synonyms

CHEMBL3128212; Cambridge id 6989645; SCHEMBL16798644; BDBM50448792; STK663360; ZINC20110091; MCULE-3146507754; 1-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-5-bromo-1H-indole-2,3-dione; 1-{[4-(1,3-benzodioxol-5-ylmethyl)piperazino]methyl}-5-bromo-1H-indole-2,3-dione

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Activity

IC50 ~ 100000 nM

[1]

Compound Name

8-{[Benzyl(methyl)amino]methyl}-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione

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Investigative

Compound Info

Synonyms

CHEMBL1311611; MLS000039558; REGID_for_CID_666623; HMS2415N05; ZINC5789651; BDBM50076552; STK584036; AKOS001359439; MCULE-8025217652; UPCMLD0ENAT5788526:001; NCGC00063427-02; SMR000035267; ST51072686; UNM000000846701; AB00396538-09

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Activity

IC50 ~ 100000 nM

[2]

Compound Name

7-Butyl-8-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-1,3-dimethylpurine-2,6-dione

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Investigative

Compound Info

Synonyms

MLS-0004183.0001; SMR000035418; MLS000080718; MLS002584887; MLS002699437; cid_666267; CHEMBL1444568; REGID_for_CID_666267; BDBM65735; HMS2413N04; STK583726; ZINC96305233; AKOS001360565; MCULE-1040051890; ST51072740; UNM000000844601; MLS-0004183.0002; SR-01000128109; SR-01000128109-1; Q27164754; Z235449700; 7-butyl-8-[[4-(3-chlorophenyl)piperazino]methyl]-1,3-dimethyl-xanthine

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Activity

IC50 ~ 100000 nM

[2]

Compound Name

1,3-Dimethyl-7-(3-methylbutyl)-8-(morpholin-4-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione

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Investigative

Compound Info

Synonyms

CHEMBL1538964; SMR000016477; MLS000101913; SCHEMBL17207521; HMS2247O13; BDBM50076553; STK850144; ZINC13136155; AKOS001359090; MCULE-4940354263; UPCMLD0ENAT5788615:001; ST51072688; SR-01000096574; SR-01000096574-1; F0634-0654; 7-isopentyl-1,3-dimethyl-8-(morpholinomethyl)-3,7-dihydro-1H-purine-2,6-dione

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Activity

IC50 ~ 100000 nM

[2]

Compound Name

1-Morpholin-4-ylmethyl-1H-indole-2,3-dione

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Investigative

Compound Info

Synonyms

1-(morpholinomethyl)isatin; 1-(Morpholinomethyl)indoline-2,3-dione; NSC96601; 1-(morpholin-4-ylmethyl)indole-2,3-dione; 1-morpholinomethyl isatin; Isatin-based compound, 61; 1-(morpholin-4-ylmethyl)-1H-indole-2,3-dione; CBDivE_001131; CHEMBL222849; SCHEMBL4624387; BDBM22841; CTK5C2550; DTXSID50294432; NSC-96601; STK120152; ZINC19300440; AKOS000582853; MCULE-6992870107; 1-(morpholinomethyl)-1H-indole-2,3-dione; DB-126667; ST45087788; 1-(4-morpholinylmethyl)-1H-indole-2,3-dione; 1-(morpholin-4-ylmethyl)benzo[d]azolidine-2,3-dione; 1-(morpholin-4-ylmethyl)-2,3-dihydro-1H-indole-2,3-dione

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Activity

IC50 ~ 100000 nM

[1]

Compound Name

1,3-Dimethyl-7-(3-methylbutyl)-8-[(4-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione

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Investigative

Compound Info

Synonyms

CHEMBL3416555; SCHEMBL17207523; BDBM50076551; CCG-29130; STK577335; ZINC13815782; AKOS001360786; MCULE-3269571393; UPCMLD0ENAT5783532:001; ST51072932

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Activity

IC50 ~ 100000 nM

[2]

Compound Name

1-[(2E)-3-Phenylprop-2-en-1-yl]-1H-indole-2,3-dione

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Investigative

Compound Info

Synonyms

1-Cinnamylindoline-2,3-dione; MLS001202142; 1-[(2E)-3-phenylprop-2-enyl]-1H-indole-2,3-dione; SMR000565059; 1-((2E)-3-phenylprop-2-enyl)benzo[d]azoline-2,3-dione; 1-[(E)-3-phenylprop-2-enyl]indole-2,3-dione; 1-[(E)-cinnamyl]isatin; Cambridge id 6997087; CHEMBL1453099; SCHEMBL16798771; BDBM47902; cid_2057118; 1-cinnamyl-1H-indole-2,3-dione; ALBB-025201; ZINC2491410; MFCD01809912; SBB072447; STK734039; AKOS000245103; MCULE-2560510728; ST065493; R4906; AG-205/13358088; SR-01000527183; 1H-Indole-2,3-dione, 1-(3-phenyl-2-propenyl)-; SR-01000527183-1; 1-[(2E)-3-Phenyl-2-propenyl]-1H-indole-2,3-dione #; 1H-indole-2,3-dione, 1-[(2E)-3-phenyl-2-propenyl]-

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Activity

IC50 ~ 100000 nM

[1]

Compound Name

1-{[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-1H-indole-2,3-dione

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Investigative

Compound Info

Synonyms

CHEMBL3128211; Cambridge id 6505720; SCHEMBL16798717; BDBM50448793; STK333980; ZINC19851168; AKOS000641291; MCULE-5674435212; AG-205/37107093; 1-{[4-(1,3-benzodioxol-5-ylmethyl)piperazino]methyl}-1H-indole-2,3-dione; 1-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl}-1H-indole-2,3-dione

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Activity

IC50 ~ 100000 nM

[1]

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References

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REF 1

Development of selective inhibitors for aldehyde dehydrogenases based on substituted indole-2,3-diones. J Med Chem. 2014 Feb 13;57(3):714-22.

REF 2

Characterization of two distinct structural classes of selective aldehyde dehydrogenase 1A1 inhibitors. J Med Chem. 2015 Feb 26;58(4):1964-75.

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