Detailed information for compound 699329

Basic information

Technical information
  • TDR Targets ID: 699329
  • Name: N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinol in-7-yl]-4-methylbenzenesulfonamide
  • MW: 396.46 | Formula: C21H20N2O4S
  • H donors: 1 H acceptors: 3 LogP: 3.62 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)S(=O)(=O)Nc1ccc2c(c1)N(CCC2)C(=O)c1ccco1
  • InChi: 1S/C21H20N2O4S/c1-15-6-10-18(11-7-15)28(25,26)22-17-9-8-16-4-2-12-23(19(16)14-17)21(24)20-5-3-13-27-20/h3,5-11,13-14,22H,2,4,12H2,1H3
  • InChiKey: WSWAMFVHYSBSOX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-methyl-benzenesulfonamide
  • N-[1-(2-furyl-oxomethyl)-3,4-dihydro-2H-quinolin-7-yl]-4-methylbenzenesulfonamide
  • N-(1-furan-2-ylcarbonyl-3,4-dihydro-2H-quinolin-7-yl)-4-methyl-benzenesulfonamide
  • ZINC05136512

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0202 0.8669 0.9064
Plasmodium vivax glutathione reductase, putative 0.0221 0.9564 1
Echinococcus granulosus lysine specific demethylase 5A 0.0057 0.1755 0.1835
Plasmodium vivax SET domain protein, putative 0.0029 0.0414 0.0432
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0077 0.2681 0.2803
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0077 0.2681 1
Trichomonas vaginalis glutathione reductase, putative 0.0077 0.2681 0.2681
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.1843 0.1927
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0077 0.2681 0.2803
Trypanosoma brucei trypanothione reductase 0.0221 0.9564 1
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0077 0.2681 0.2803
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0363 0.0379
Toxoplasma gondii thioredoxin reductase 0.0221 0.9564 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0077 0.2681 0.2803
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0077 0.2681 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0041 0.1005 0.1051
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0056 0.1712 0.179
Plasmodium falciparum thioredoxin reductase 0.0077 0.2681 0.2803
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0077 0.2681 0.2803
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0077 0.2681 0.2803
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0077 0.2681 0.2803
Echinococcus granulosus thioredoxin glutathione reductase 0.0221 0.9564 1
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.1843 0.1927
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0221 0.9564 1
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0077 0.2681 0.2803
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0077 0.2681 1
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0056 0.1688 0.1765
Brugia malayi jmjC domain containing protein 0.0057 0.1755 0.1835
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0414 0.0432
Schistosoma mansoni lipoxygenase 0.0115 0.4493 0.4698
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0041 0.1005 0.1051
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0141 0.5743 0.6005
Trypanosoma cruzi trypanothione reductase, putative 0.0221 0.9564 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0077 0.2681 0.2803
Plasmodium falciparum glutathione reductase 0.0221 0.9564 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0077 0.2681 0.2803
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0077 0.2681 0.2803
Plasmodium falciparum thioredoxin reductase 0.0221 0.9564 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0414 0.0432
Trypanosoma cruzi trypanothione reductase, putative 0.0077 0.2681 0.2803
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0077 0.2681 0.2803
Trichomonas vaginalis bromodomain-containing protein, putative 0.0041 0.1005 0.1005
Plasmodium vivax thioredoxin reductase, putative 0.0221 0.9564 1
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0056 0.1688 0.1765
Trichomonas vaginalis set domain proteins, putative 0.023 1 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0056 0.1688 0.1765
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0041 0.1005 0.1051
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0077 0.2681 0.2803
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0077 0.2681 1
Brugia malayi glutathione reductase 0.0221 0.9564 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0077 0.2681 0.2803
Giardia lamblia NADH oxidase lateral transfer candidate 0.0077 0.2681 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0077 0.2681 0.2803
Schistosoma mansoni jumonji/arid domain-containing protein 0.0057 0.1755 0.1835
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0077 0.2681 0.2803
Brugia malayi Pre-SET motif family protein 0.0029 0.0414 0.0432
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0077 0.2681 0.2803
Loa Loa (eye worm) hypothetical protein 0.0029 0.0414 0.0432
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0414 0.0432
Loa Loa (eye worm) jmjC domain-containing protein 0.0057 0.1755 0.1835
Loa Loa (eye worm) acetyltransferase 0.0141 0.5743 0.6005
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0077 0.2681 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0137 0.5555 0.5808
Toxoplasma gondii NADPH-glutathione reductase 0.0077 0.2681 0.2803
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0414 0.0432
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.1843 0.1927
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.1843 0.1927
Onchocerca volvulus 0.0029 0.0414 0.0414
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0115 0.4493 0.4698
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0077 0.2681 0.2803
Brugia malayi Pre-SET motif family protein 0.0202 0.8669 0.9064
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0077 0.2681 0.2803
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0052 0.1509 0.1578
Treponema pallidum NADH oxidase 0.0077 0.2681 1
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0056 0.1688 0.1765
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.1843 0.1927
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.084 0.0879
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0141 0.5743 0.6005
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0077 0.2681 0.2803
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0057 0.1755 0.1835
Brugia malayi jmjC domain containing protein 0.0057 0.1755 0.1835
Echinococcus multilocularis thioredoxin glutathione reductase 0.0221 0.9564 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0057 0.1755 0.1835
Leishmania major trypanothione reductase 0.0221 0.9564 1
Brugia malayi Thioredoxin reductase 0.0221 0.9564 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0077 0.2681 1
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0056 0.1712 0.179
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0414 0.0432
Loa Loa (eye worm) glutathione reductase 0.0221 0.9564 1
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0056 0.1688 0.1765
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.084 0.3135
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0414 0.0432
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0077 0.2681 0.2803
Trichomonas vaginalis mercuric reductase, putative 0.0077 0.2681 0.2681
Schistosoma mansoni lipoxygenase 0.008 0.2849 0.2979
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0077 0.2681 0.2803
Plasmodium falciparum glutathione reductase 0.0077 0.2681 0.2803
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0077 0.2681 0.2803
Brugia malayi acetyltransferase, GNAT family protein 0.0141 0.5743 0.6005
Schistosoma mansoni jumonji domain containing protein 0.0057 0.1755 0.1835
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.084 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0077 0.2681 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.1843 0.6874
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0414 0.0432
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.1843 0.6874
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0077 0.2681 0.2803
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0077 0.2681 0.2803
Echinococcus multilocularis lysine specific demethylase 5A 0.0057 0.1755 0.1835
Loa Loa (eye worm) thioredoxin reductase 0.0221 0.9564 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0077 0.2681 0.2803
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0115 0.4493 0.4698
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.1843 0.1927
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0077 0.2681 0.2803
Schistosoma mansoni jumonji/arid domain-containing protein 0.0057 0.1755 0.1835
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0041 0.1005 0.1051
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0414 0.0432
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.1843 0.1927
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0077 0.2681 0.2803
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0041 0.1005 0.1005
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0056 0.1688 0.6295
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0077 0.2681 0.2803
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0056 0.1688 0.6295
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.1843 0.6874
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0056 0.1688 0.1765

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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